3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid

C15H18FN5O3 — CID 119237695

IUPAC3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid
SMILESCc1nnnn1C(Cc1cccc(F)c1)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C15H18FN5O3/c1-9(15(23)24)8-17-14(22)13(21-10(2)18-19-20-21)7-11-4-3-5-12(16)6-11/h3-6,9,13H,7-8H2,1-2H3,(H,17,22)(H,23,24)
InChIKeyXQOMEECRWSNHCV-UHFFFAOYSA-N
MW335.34 g/mol
LogP0.74
Rot. Bonds7

About 3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid

3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid (PubChem CID 119237695) has the molecular formula C15H18FN5O3 and a molecular weight of 335.34 g/mol. Its IUPAC name is 3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid
PubChem CID119237695
Molecular FormulaC15H18FN5O3
Molecular Weight335.34 g/mol
Exact Mass335.14
IUPAC Name3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid
SMILESCc1nnnn1C(Cc1cccc(F)c1)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C15H18FN5O3/c1-9(15(23)24)8-17-14(22)13(21-10(2)18-19-20-21)7-11-4-3-5-12(16)6-11/h3-6,9,13H,7-8H2,1-2H3,(H,17,22)(H,23,24)
InChIKeyXQOMEECRWSNHCV-UHFFFAOYSA-N
XLogP0.74
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]ethyl]benzoic acid
CID 119168903
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 166416460
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 51082128
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide
CID 112828978
(2R)-3-(3-fluorophenyl)-N-[(1R)-4-hydroxy-1-phenylbutyl]-2-(5-methyltetrazol-1-yl)propanamide
CID 97075096
N-[2-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 119602128
3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide
CID 120575920
3-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)propanamide
CID 120888827
3-(3-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
CID 119561159
1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119166807
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 78879461
N-ethyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 110893922

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid (CID 119237695) is 3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid is Cc1nnnn1C(Cc1cccc(F)c1)C(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid?
The InChIKey is XQOMEECRWSNHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O3/c1-9(15(23)24)8-17-14(22)13(21-10(2)18-19-20-21)7-11-4-3-5-12(16)6-11/h3-6,9,13H,7-8H2,1-2H3,(H,17,22)(H,23,24).
What are the key properties of 3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid?
3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid has a molecular weight of 335.34 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 119237695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).