4-methyl-4-[(2-methylphenyl)methylcarbamoylamino]pentanoic acid

C15H22N2O3 — CID 62048340

IUPAC4-methyl-4-[(2-methylphenyl)methylcarbamoylamino]pentanoic acid
SMILESCc1ccccc1CNC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C15H22N2O3/c1-11-6-4-5-7-12(11)10-16-14(20)17-15(2,3)9-8-13(18)19/h4-7H,8-10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyDHVVGHXECLSSLA-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.44
Rot. Bonds6

About 4-methyl-4-[(2-methylphenyl)methylcarbamoylamino]pentanoic acid

4-methyl-4-[(2-methylphenyl)methylcarbamoylamino]pentanoic acid (PubChem CID 62048340) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-methyl-4-[(2-methylphenyl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(2-methylphenyl)methylcarbamoylamino]pentanoic acid
PubChem CID62048340
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-methyl-4-[(2-methylphenyl)methylcarbamoylamino]pentanoic acid
SMILESCc1ccccc1CNC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C15H22N2O3/c1-11-6-4-5-7-12(11)10-16-14(20)17-15(2,3)9-8-13(18)19/h4-7H,8-10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyDHVVGHXECLSSLA-UHFFFAOYSA-N
XLogP2.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methylphenyl)methylcarbamoylamino]butanoic acid
CID 28511327
4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 62047810
1-(3,3-dimethylbutyl)-3-[(2-methylphenyl)methyl]urea
CID 55683695
1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea
CID 113216413
4-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]pentanoic acid
CID 63284168
3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 110755430
N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604971
4-methyl-4-[[2-methyl-5-(phenylcarbamoyl)phenyl]carbamoylamino]pentanoic acid
CID 122076052
1-[2-(2-methylphenyl)ethyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108899727
4-[(4-bromo-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62049442
4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid
CID 122088445
4-methyl-4-(propylcarbamoylamino)pentanoic acid
CID 62043521

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(2-methylphenyl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(2-methylphenyl)methylcarbamoylamino]pentanoic acid (CID 62048340) is 4-methyl-4-[(2-methylphenyl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(2-methylphenyl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(2-methylphenyl)methylcarbamoylamino]pentanoic acid is Cc1ccccc1CNC(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-methyl-4-[(2-methylphenyl)methylcarbamoylamino]pentanoic acid?
The InChIKey is DHVVGHXECLSSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-6-4-5-7-12(11)10-16-14(20)17-15(2,3)9-8-13(18)19/h4-7H,8-10H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-methyl-4-[(2-methylphenyl)methylcarbamoylamino]pentanoic acid?
4-methyl-4-[(2-methylphenyl)methylcarbamoylamino]pentanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(2-methylphenyl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 62048340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).