3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid

C13H15N5O4 — CID 120524969

IUPAC3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid
SMILESCOc1ccc(C(=O)N(C)CCC(=O)O)cc1-n1cnnn1
InChIInChI=1S/C13H15N5O4/c1-17(6-5-12(19)20)13(21)9-3-4-11(22-2)10(7-9)18-8-14-15-16-18/h3-4,7-8H,5-6H2,1-2H3,(H,19,20)
InChIKeyRSMPSTVVYYZCTM-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.22
Rot. Bonds6

About 3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid

3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid (PubChem CID 120524969) has the molecular formula C13H15N5O4 and a molecular weight of 305.29 g/mol. Its IUPAC name is 3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid
PubChem CID120524969
Molecular FormulaC13H15N5O4
Molecular Weight305.29 g/mol
Exact Mass305.11
IUPAC Name3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid
SMILESCOc1ccc(C(=O)N(C)CCC(=O)O)cc1-n1cnnn1
InChIInChI=1S/C13H15N5O4/c1-17(6-5-12(19)20)13(21)9-3-4-11(22-2)10(7-9)18-8-14-15-16-18/h3-4,7-8H,5-6H2,1-2H3,(H,19,20)
InChIKeyRSMPSTVVYYZCTM-UHFFFAOYSA-N
XLogP0.22
TPSA110.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
CID 75519212
3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
CID 60988731
N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
CID 75476338
3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid
CID 120535194
3-[(4-fluoro-3-methoxybenzoyl)-methylamino]propanoic acid
CID 81283720
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 44615707
1-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120515028
3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid
CID 120536453
N-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide
CID 75519257
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-4-(tetrazol-1-yl)benzamide
CID 55771254
5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 167966168
3-[(3-methoxy-4-nitrobenzoyl)-methylamino]propanoic acid
CID 83767980

Frequently Asked Questions

What is the IUPAC name of 3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid (CID 120524969) is 3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid is COc1ccc(C(=O)N(C)CCC(=O)O)cc1-n1cnnn1.
What is the InChIKey of 3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid?
The InChIKey is RSMPSTVVYYZCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O4/c1-17(6-5-12(19)20)13(21)9-3-4-11(22-2)10(7-9)18-8-14-15-16-18/h3-4,7-8H,5-6H2,1-2H3,(H,19,20).
What are the key properties of 3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid?
3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid has a molecular weight of 305.29 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid is sourced from PubChem (CID 120524969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).