3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid

C16H19N5O4 — CID 120535194

IUPAC3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid
SMILESCOc1ccc(C(=O)N(CC(C)C(=O)O)C2CC2)cc1-n1cnnn1
InChIInChI=1S/C16H19N5O4/c1-10(16(23)24)8-20(12-4-5-12)15(22)11-3-6-14(25-2)13(7-11)21-9-17-18-19-21/h3,6-7,9-10,12H,4-5,8H2,1-2H3,(H,23,24)
InChIKeyVBSYUATYDBXLON-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.00
Rot. Bonds7

About 3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid

3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid (PubChem CID 120535194) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid
PubChem CID120535194
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC Name3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid
SMILESCOc1ccc(C(=O)N(CC(C)C(=O)O)C2CC2)cc1-n1cnnn1
InChIInChI=1S/C16H19N5O4/c1-10(16(23)24)8-20(12-4-5-12)15(22)11-3-6-14(25-2)13(7-11)21-9-17-18-19-21/h3,6-7,9-10,12H,4-5,8H2,1-2H3,(H,23,24)
InChIKeyVBSYUATYDBXLON-UHFFFAOYSA-N
XLogP1.00
TPSA110.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
CID 75476338
3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid
CID 120524969
3-[cyclopropyl-(3,4-dimethylbenzoyl)amino]-2-methylpropanoic acid
CID 82325036
N-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
CID 75519212
(2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 95540234
1-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120515028
3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
CID 120689451
(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 95540195
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide
CID 45491400
N-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide
CID 75519257
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 91660011
(2S)-3-[cyclopropyl-(3-fluoro-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 124691127

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid (CID 120535194) is 3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid is COc1ccc(C(=O)N(CC(C)C(=O)O)C2CC2)cc1-n1cnnn1.
What is the InChIKey of 3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid?
The InChIKey is VBSYUATYDBXLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c1-10(16(23)24)8-20(12-4-5-12)15(22)11-3-6-14(25-2)13(7-11)21-9-17-18-19-21/h3,6-7,9-10,12H,4-5,8H2,1-2H3,(H,23,24).
What are the key properties of 3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid?
3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid has a molecular weight of 345.36 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 120535194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).