5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid

C15H22N2O3 — CID 82687731

IUPAC5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-12(8-9-14(18)19)10-16-15(20)17(2)11-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyXLTYIRWKVRRJPR-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.33
Rot. Bonds7

About 5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid

5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid (PubChem CID 82687731) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
PubChem CID82687731
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-12(8-9-14(18)19)10-16-15(20)17(2)11-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyXLTYIRWKVRRJPR-UHFFFAOYSA-N
XLogP2.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid
CID 82688959
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
5-(benzylcarbamoylamino)-4-methylpentanoic acid
CID 82689403
5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid
CID 112516106
5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82687737
3-methyl-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid
CID 81069552
5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82013804
4-methyl-5-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid
CID 82688124
4-methyl-5-[[methyl(prop-2-ynyl)carbamoyl]amino]pentanoic acid
CID 82014438
(2S)-4-[[benzyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 104934154
5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62942041
5-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 107201655

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid (CID 82687731) is 5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)N(C)Cc1ccccc1.
What is the InChIKey of 5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is XLTYIRWKVRRJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12(8-9-14(18)19)10-16-15(20)17(2)11-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid?
5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 82687731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).