2-[[[methyl-(2-methylphenyl)carbamoyl]amino]methyl]pentanoic acid

C15H22N2O3 — CID 65221593

IUPAC2-[[[methyl-(2-methylphenyl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N(C)c1ccccc1C)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-7-12(14(18)19)10-16-15(20)17(3)13-9-6-5-8-11(13)2/h5-6,8-9,12H,4,7,10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyOXEYACPSMBIIPG-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.64
Rot. Bonds6

About 2-[[[methyl-(2-methylphenyl)carbamoyl]amino]methyl]pentanoic acid

2-[[[methyl-(2-methylphenyl)carbamoyl]amino]methyl]pentanoic acid (PubChem CID 65221593) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[[methyl-(2-methylphenyl)carbamoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[methyl-(2-methylphenyl)carbamoyl]amino]methyl]pentanoic acid
PubChem CID65221593
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[[methyl-(2-methylphenyl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N(C)c1ccccc1C)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-7-12(14(18)19)10-16-15(20)17(3)13-9-6-5-8-11(13)2/h5-6,8-9,12H,4,7,10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyOXEYACPSMBIIPG-UHFFFAOYSA-N
XLogP2.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid
CID 65218183
3-butyl-1-methyl-1-(2-methylphenyl)urea
CID 116655391
2-[[(2-methylbenzoyl)amino]methyl]butanoic acid
CID 65220541
2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 65223609
(2S)-4-methyl-2-[[methyl-(2-methylphenyl)carbamoyl]amino]pentanoic acid
CID 78979220
hexane;methyl-(2-methylphenyl)carbamic acid
CID 174980979
2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid
CID 79491922
2-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]butanoic acid
CID 65226726
2-[[(2-methylsulfanylphenyl)carbamoylamino]methyl]pentanoic acid
CID 107642350
(2S)-4-amino-2-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717563
2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid
CID 65226283
2-[[[(4-fluorophenyl)-methylcarbamoyl]amino]methyl]butanoic acid
CID 65221688

Frequently Asked Questions

What is the IUPAC name of 2-[[[methyl-(2-methylphenyl)carbamoyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[methyl-(2-methylphenyl)carbamoyl]amino]methyl]pentanoic acid (CID 65221593) is 2-[[[methyl-(2-methylphenyl)carbamoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[methyl-(2-methylphenyl)carbamoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[methyl-(2-methylphenyl)carbamoyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)N(C)c1ccccc1C)C(=O)O.
What is the InChIKey of 2-[[[methyl-(2-methylphenyl)carbamoyl]amino]methyl]pentanoic acid?
The InChIKey is OXEYACPSMBIIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-7-12(14(18)19)10-16-15(20)17(3)13-9-6-5-8-11(13)2/h5-6,8-9,12H,4,7,10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[[methyl-(2-methylphenyl)carbamoyl]amino]methyl]pentanoic acid?
2-[[[methyl-(2-methylphenyl)carbamoyl]amino]methyl]pentanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[methyl-(2-methylphenyl)carbamoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 65221593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).