methyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate

C15H22N2O3 — CID 3806589

IUPACmethyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)Nc1ccccc1C
InChIInChI=1S/C15H22N2O3/c1-10(2)9-13(14(18)20-4)17-15(19)16-12-8-6-5-7-11(12)3/h5-8,10,13H,9H2,1-4H3,(H2,16,17,19)
InChIKeyCERSBFIZXTXWCO-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.70
Rot. Bonds5

About methyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate

methyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate (PubChem CID 3806589) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate
PubChem CID3806589
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)Nc1ccccc1C
InChIInChI=1S/C15H22N2O3/c1-10(2)9-13(14(18)20-4)17-15(19)16-12-8-6-5-7-11(12)3/h5-8,10,13H,9H2,1-4H3,(H2,16,17,19)
InChIKeyCERSBFIZXTXWCO-UHFFFAOYSA-N
XLogP2.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 944657
methyl (2S)-2-[(2,5-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 942819
methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate
CID 721455
methyl (2S)-2-[(2-methylphenyl)carbamoylamino]-4-methylsulfanylbutanoate
CID 2013447
methyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 3570816
(2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 6956422
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
methyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate
CID 51426599
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
CID 119670479
2-[(2-methylphenyl)carbamoylamino]-3-methylsulfanylpropanoic acid
CID 23018524
methyl 2-[(2-chlorophenyl)methylcarbamoylamino]-4-methylpentanoate
CID 3840531
3-[(2-methylphenyl)carbamoylamino]butanoic acid
CID 61196856

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate (CID 3806589) is methyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate is COC(=O)C(CC(C)C)NC(=O)Nc1ccccc1C.
What is the InChIKey of methyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate?
The InChIKey is CERSBFIZXTXWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)9-13(14(18)20-4)17-15(19)16-12-8-6-5-7-11(12)3/h5-8,10,13H,9H2,1-4H3,(H2,16,17,19).
What are the key properties of methyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate?
methyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate has a molecular weight of 278.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate is sourced from PubChem (CID 3806589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).