Name: Name:1-({1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01C1AX
Rating: 90 (10 reviews)

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

CAS No.:

1824433-65-9

Catalog Number:

AG01C1AX

Molecular Formula:

C13H20N4O4

Molecular Weight:

296.3223

Catalog Number:

AG01C1AX

Chemical Name:

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

CAS Number:

1824433-65-9

Molecular Formula:

C13H20N4O4

Molecular Weight:

296.3223

MDL Number:

MFCD24532722

IUPAC Name:

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

InChI:

InChI=1S/C13H20N4O4/c1-13(2,3)21-12(20)17-6-4-5-9(17)7-16-8-10(11(18)19)14-15-16/h8-9H,4-7H2,1-3H3,(H,18,19)

InChI Key:

MEIXGBZODIXQNM-UHFFFAOYSA-N

SMILES:

O=C(N1CCCC1Cn1nnc(c1)C(=O)O)OC(C)(C)C

Complexity:

410

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