4-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid

C14H19FN2O3 — CID 62050050

IUPAC4-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
SMILESCN(C(=O)NC(C)(C)CCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3/c1-14(2,9-8-12(18)19)16-13(20)17(3)11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyCNMMTIOWXNTDLJ-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.61
Rot. Bonds5

About 4-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid

4-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid (PubChem CID 62050050) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
PubChem CID62050050
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name4-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
SMILESCN(C(=O)NC(C)(C)CCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3/c1-14(2,9-8-12(18)19)16-13(20)17(3)11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyCNMMTIOWXNTDLJ-UHFFFAOYSA-N
XLogP2.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62048002
4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid
CID 62044369
4-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-4-methylpentanoic acid
CID 62043499
4-[3-[(4-fluorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid
CID 119357551
4-[4-[(4-fluorobenzoyl)amino]butanoylamino]-4-methylpentanoic acid
CID 119204694
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 62042184
1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea
CID 115588406
N-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80550035
4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62049262
4-[(2-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037496
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 55228127
3,3,3-trifluoro-2-methyl-2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
CID 79798429

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid (CID 62050050) is 4-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid is CN(C(=O)NC(C)(C)CCC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 4-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is CNMMTIOWXNTDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-14(2,9-8-12(18)19)16-13(20)17(3)11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid?
4-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 282.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 62050050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).