2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid

C12H13N5O4 — CID 66172388

IUPAC2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
SMILESCC(O)(CNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)O
InChIInChI=1S/C12H13N5O4/c1-12(21,11(19)20)6-13-10(18)8-2-4-9(5-3-8)17-7-14-15-16-17/h2-5,7,21H,6H2,1H3,(H,13,18)(H,19,20)
InChIKeyABXBSEOBGJUDTQ-UHFFFAOYSA-N
MW291.27 g/mol
LogP-0.77
Rot. Bonds5

About 2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid

2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid (PubChem CID 66172388) has the molecular formula C12H13N5O4 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
PubChem CID66172388
Molecular FormulaC12H13N5O4
Molecular Weight291.27 g/mol
Exact Mass291.10
IUPAC Name2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
SMILESCC(O)(CNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)O
InChIInChI=1S/C12H13N5O4/c1-12(21,11(19)20)6-13-10(18)8-2-4-9(5-3-8)17-7-14-15-16-17/h2-5,7,21H,6H2,1H3,(H,13,18)(H,19,20)
InChIKeyABXBSEOBGJUDTQ-UHFFFAOYSA-N
XLogP-0.77
TPSA130.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide
CID 65109439
N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide
CID 43600862
5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 62033210
N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide
CID 115612743
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
3-[[4-(azepan-1-yl)benzoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 167938791
N-[2-(ethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 55101010
N-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide
CID 47285769
3-[(4-acetamidobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174171
1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65452192
4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide
CID 31971288
N-(1-hydroxy-3-methylpentan-3-yl)-4-(tetrazol-1-yl)benzamide
CID 103945863

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid (CID 66172388) is 2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid is CC(O)(CNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid?
The InChIKey is ABXBSEOBGJUDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O4/c1-12(21,11(19)20)6-13-10(18)8-2-4-9(5-3-8)17-7-14-15-16-17/h2-5,7,21H,6H2,1H3,(H,13,18)(H,19,20).
What are the key properties of 2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid?
2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid has a molecular weight of 291.27 g/mol, XLogP of -0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 66172388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).