Name: Name:1-{1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01B4WS
Rating: 90 (10 reviews)

1-{1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1334485-82-3

Catalog Number:

AG01B4WS

Molecular Formula:

C13H20N4O4

Molecular Weight:

296.3223

Catalog Number:

AG01B4WS

Chemical Name:

1-{1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1334485-82-3

Molecular Formula:

C13H20N4O4

Molecular Weight:

296.3223

MDL Number:

MFCD20232463

IUPAC Name:

5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]triazole-4-carboxylic acid

InChI:

InChI=1S/C13H20N4O4/c1-8-10(11(18)19)14-15-17(8)9-5-6-16(7-9)12(20)21-13(2,3)4/h9H,5-7H2,1-4H3,(H,18,19)

InChI Key:

RVEVJAYHNKNERC-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(C1)n1nnc(c1C)C(=O)O)OC(C)(C)C

Complexity:

423

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.148g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.327g/mol

Monoisotopic Mass:

296.148g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9