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

C12H13N5O3 — CID 60988731

IUPAC3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C12H13N5O3/c1-16(7-6-11(18)19)12(20)9-2-4-10(5-3-9)17-8-13-14-15-17/h2-5,8H,6-7H2,1H3,(H,18,19)
InChIKeyIRZIQKODGIGBNK-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.21
Rot. Bonds5

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

3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid (PubChem CID 60988731) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
PubChem CID60988731
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C12H13N5O3/c1-16(7-6-11(18)19)12(20)9-2-4-10(5-3-9)17-8-13-14-15-17/h2-5,8H,6-7H2,1H3,(H,18,19)
InChIKeyIRZIQKODGIGBNK-UHFFFAOYSA-N
XLogP0.21
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid
CID 120524969
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 32544801
5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 62033210
3-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]propanoic acid
CID 119233026
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 29415782
N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide
CID 66188486
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 29465073
N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 56911908
3-[(4-ethylbenzoyl)-methylamino]propanoic acid
CID 60989059
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide
CID 30881718
3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid
CID 60988552

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid (CID 60988731) is 3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid is CN(CCC(=O)O)C(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid?
The InChIKey is IRZIQKODGIGBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-16(7-6-11(18)19)12(20)9-2-4-10(5-3-9)17-8-13-14-15-17/h2-5,8H,6-7H2,1H3,(H,18,19).
What are the key properties of 3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid?
3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid has a molecular weight of 275.27 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 60988731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).