4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid

C17H23FN6O3 — CID 122089353

IUPAC4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)n1nnnc1-c1ccc(NC(=O)NC(C)(C)CCC(=O)O)cc1F
InChIInChI=1S/C17H23FN6O3/c1-10(2)24-15(21-22-23-24)12-6-5-11(9-13(12)18)19-16(27)20-17(3,4)8-7-14(25)26/h5-6,9-10H,7-8H2,1-4H3,(H,25,26)(H2,19,20,27)
InChIKeyGFDLFJQNZUAJJI-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.83
Rot. Bonds7

About 4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid

4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid (PubChem CID 122089353) has the molecular formula C17H23FN6O3 and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
PubChem CID122089353
Molecular FormulaC17H23FN6O3
Molecular Weight378.41 g/mol
Exact Mass378.18
IUPAC Name4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)n1nnnc1-c1ccc(NC(=O)NC(C)(C)CCC(=O)O)cc1F
InChIInChI=1S/C17H23FN6O3/c1-10(2)24-15(21-22-23-24)12-6-5-11(9-13(12)18)19-16(27)20-17(3,4)8-7-14(25)26/h5-6,9-10H,7-8H2,1-4H3,(H,25,26)(H2,19,20,27)
InChIKeyGFDLFJQNZUAJJI-UHFFFAOYSA-N
XLogP2.83
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic 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

1-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 75454092
4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 114840334
4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122078811
4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122078045
N-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 84600348
4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 62050370
4-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086111
4-[[3-fluoro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122090760
3-[3-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanoic acid
CID 122089674
4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043312
4-methyl-4-[(1-methyl-2-oxoquinolin-7-yl)carbamoylamino]pentanoic acid
CID 122091763
4-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122076618

Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid (CID 122089353) is 4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid is CC(C)n1nnnc1-c1ccc(NC(=O)NC(C)(C)CCC(=O)O)cc1F.
What is the InChIKey of 4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The InChIKey is GFDLFJQNZUAJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN6O3/c1-10(2)24-15(21-22-23-24)12-6-5-11(9-13(12)18)19-16(27)20-17(3,4)8-7-14(25)26/h5-6,9-10H,7-8H2,1-4H3,(H,25,26)(H2,19,20,27).
What are the key properties of 4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid?
4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid has a molecular weight of 378.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122089353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).