methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate

C11H22N2O3 — CID 62901379

IUPACmethyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate
SMILESCCC(NC(CC(C)C)C(=O)OC)C(N)=O
InChIInChI=1S/C11H22N2O3/c1-5-8(10(12)14)13-9(6-7(2)3)11(15)16-4/h7-9,13H,5-6H2,1-4H3,(H2,12,14)
InChIKeyPLWHPGSAMJWQLG-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.43
Rot. Bonds7

About methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate

methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate (PubChem CID 62901379) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate
PubChem CID62901379
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate
SMILESCCC(NC(CC(C)C)C(=O)OC)C(N)=O
InChIInChI=1S/C11H22N2O3/c1-5-8(10(12)14)13-9(6-7(2)3)11(15)16-4/h7-9,13H,5-6H2,1-4H3,(H2,12,14)
InChIKeyPLWHPGSAMJWQLG-UHFFFAOYSA-N
XLogP0.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-amino-1-oxobutan-2-yl)amino]butanamide
CID 174420695
methyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate
CID 23573227
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
methyl 2-[[(2S)-2,4-dimethylpentanoyl]amino]butanoate
CID 170397026
methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate
CID 112743189
methyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate
CID 102868458
methyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate
CID 65338075
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
methyl (2R)-2-(chloroamino)-4-methylpentanoate
CID 59125779
(2R)-4-methyl-2-(methylamino)pentanamide
CID 89050865
2-(pentan-3-ylamino)butanamide
CID 62899455
2-(hydroxyamino)-4-methylpentanamide
CID 14584858

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate (CID 62901379) is methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate is CCC(NC(CC(C)C)C(=O)OC)C(N)=O.
What is the InChIKey of methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate?
The InChIKey is PLWHPGSAMJWQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-8(10(12)14)13-9(6-7(2)3)11(15)16-4/h7-9,13H,5-6H2,1-4H3,(H2,12,14).
What are the key properties of methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate?
methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate has a molecular weight of 230.31 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate is sourced from PubChem (CID 62901379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).