2-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid

C15H22N2O3 — CID 61205187

IUPAC2-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)NCc1cccc(C)c1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-8-15(3,13(18)19)17-14(20)16-10-12-7-5-6-11(2)9-12/h5-7,9H,4,8,10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyKRGNVXHIENQRJG-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.44
Rot. Bonds6

About 2-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid

2-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid (PubChem CID 61205187) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid
PubChem CID61205187
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)NCc1cccc(C)c1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-8-15(3,13(18)19)17-14(20)16-10-12-7-5-6-11(2)9-12/h5-7,9H,4,8,10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyKRGNVXHIENQRJG-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

2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid
CID 43619529
2-[(4-bromophenyl)methylcarbamoylamino]-2-methylpentanoic acid
CID 61196456
2-[(3-chloro-4-fluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid
CID 62533110
2-methyl-2-[(3-methylphenyl)methylamino]butanoic acid
CID 78969372
2-methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid
CID 63244586
2-[(3-fluorophenyl)methylcarbamoylamino]-2-methylbutanoic acid
CID 16794312
methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate
CID 62388212
N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961493
(2S)-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid
CID 30121245
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid
CID 79242053
1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea
CID 111120935
2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid
CID 61342159

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid (CID 61205187) is 2-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid is CCCC(C)(NC(=O)NCc1cccc(C)c1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid?
The InChIKey is KRGNVXHIENQRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-8-15(3,13(18)19)17-14(20)16-10-12-7-5-6-11(2)9-12/h5-7,9H,4,8,10H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid?
2-methyl-2-[(3-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 2-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 61205187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).