5-(benzylcarbamoylamino)-4-methylpentanoic acid

C14H20N2O3 — CID 82689403

IUPAC5-(benzylcarbamoylamino)-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)NCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-11(7-8-13(17)18)9-15-14(19)16-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyMBYZBPWRJYSWCC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.99
Rot. Bonds7

About 5-(benzylcarbamoylamino)-4-methylpentanoic acid

5-(benzylcarbamoylamino)-4-methylpentanoic acid (PubChem CID 82689403) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-(benzylcarbamoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name5-(benzylcarbamoylamino)-4-methylpentanoic acid
PubChem CID82689403
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-(benzylcarbamoylamino)-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)NCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-11(7-8-13(17)18)9-15-14(19)16-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyMBYZBPWRJYSWCC-UHFFFAOYSA-N
XLogP1.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(2-methyl-3-phenylpropyl)urea
CID 110355137
1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143
4-methyl-5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 82015095
5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 82687731
5-[(2-bromophenyl)carbamoylamino]-4-methylpentanoic acid
CID 82688840
1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea
CID 32838068
(4S)-4-methyl-5-phenylpentanoic acid
CID 6995676
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid
CID 82014748
1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111487017
4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 82012849
1-(4-amino-2-ethylbutyl)-3-benzylurea
CID 107654554

Frequently Asked Questions

What is the IUPAC name of 5-(benzylcarbamoylamino)-4-methylpentanoic acid?
The IUPAC name of 5-(benzylcarbamoylamino)-4-methylpentanoic acid (CID 82689403) is 5-(benzylcarbamoylamino)-4-methylpentanoic acid.
What is the SMILES notation for 5-(benzylcarbamoylamino)-4-methylpentanoic acid?
The canonical SMILES for 5-(benzylcarbamoylamino)-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)NCc1ccccc1.
What is the InChIKey of 5-(benzylcarbamoylamino)-4-methylpentanoic acid?
The InChIKey is MBYZBPWRJYSWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11(7-8-13(17)18)9-15-14(19)16-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 5-(benzylcarbamoylamino)-4-methylpentanoic acid?
5-(benzylcarbamoylamino)-4-methylpentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylcarbamoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 82689403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).