2-methyl-5-(phenylcarbamoylamino)pentanoic acid

C13H18N2O3 — CID 113440698

IUPAC2-methyl-5-(phenylcarbamoylamino)pentanoic acid
SMILESCC(CCCNC(=O)Nc1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-10(12(16)17)6-5-9-14-13(18)15-11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyLVDVZZFECHXQNE-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.31
Rot. Bonds6

About 2-methyl-5-(phenylcarbamoylamino)pentanoic acid

2-methyl-5-(phenylcarbamoylamino)pentanoic acid (PubChem CID 113440698) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-methyl-5-(phenylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-(phenylcarbamoylamino)pentanoic acid
PubChem CID113440698
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-methyl-5-(phenylcarbamoylamino)pentanoic acid
SMILESCC(CCCNC(=O)Nc1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-10(12(16)17)6-5-9-14-13(18)15-11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyLVDVZZFECHXQNE-UHFFFAOYSA-N
XLogP2.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[(3-methylsulfanylphenyl)carbamoylamino]pentanoic acid
CID 104686088
5-[(3-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid
CID 104686439
2-methyl-4-[[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid
CID 80536782
2-(carboxymethylcarbamoylamino)-6-(phenylcarbamoylamino)hexanoic acid
CID 143672056
2-[[1-carboxy-5-(phenylcarbamoylamino)pentyl]carbamoylamino]pentanedioic acid
CID 69004487
1-dodecyl-3-phenylurea
CID 3697946
5-[(2-chloro-6-methylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 104686781
5-[(3-fluoro-2-methylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 104686516
(2R)-5-anilino-2-methyl-5-oxopentanoic acid
CID 976695
5-anilino-2-methyl-5-oxopentanoic acid
CID 2950289
4-[(4-butylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 80537856
5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid
CID 104681612

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(phenylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-methyl-5-(phenylcarbamoylamino)pentanoic acid (CID 113440698) is 2-methyl-5-(phenylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-5-(phenylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-methyl-5-(phenylcarbamoylamino)pentanoic acid is CC(CCCNC(=O)Nc1ccccc1)C(=O)O.
What is the InChIKey of 2-methyl-5-(phenylcarbamoylamino)pentanoic acid?
The InChIKey is LVDVZZFECHXQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(12(16)17)6-5-9-14-13(18)15-11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-methyl-5-(phenylcarbamoylamino)pentanoic acid?
2-methyl-5-(phenylcarbamoylamino)pentanoic acid has a molecular weight of 250.30 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(phenylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 113440698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).