methyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate

C11H22N2O3 — CID 79815089

IUPACmethyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate
SMILESCCC(N)(CC)C(=O)NCCCC(=O)OC
InChIInChI=1S/C11H22N2O3/c1-4-11(12,5-2)10(15)13-8-6-7-9(14)16-3/h4-8,12H2,1-3H3,(H,13,15)
InChIKeyHCPGBAQQDQSZMF-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.57
Rot. Bonds7

About methyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate

methyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate (PubChem CID 79815089) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate
PubChem CID79815089
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate
SMILESCCC(N)(CC)C(=O)NCCCC(=O)OC
InChIInChI=1S/C11H22N2O3/c1-4-11(12,5-2)10(15)13-8-6-7-9(14)16-3/h4-8,12H2,1-3H3,(H,13,15)
InChIKeyHCPGBAQQDQSZMF-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate 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

methyl 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]butanoate
CID 79805889
2-amino-2-ethyl-N-hexylbutanamide
CID 79810029
methyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734856
methyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate
CID 90076099
5-[(2-amino-2-ethylbutanoyl)amino]-2-methylpentanoic acid
CID 112547757
methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate
CID 108808749
methyl 4-(ethylamino)butanoate;dihydrochloride
CID 174870876
dimethyl pentanedioate;hydrochloride
CID 175168861
methyl 4-(2-methylbutan-2-ylamino)butanoate
CID 43377779
ethyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734875
methyl 4-[(2-amino-3-methoxypropanoyl)amino]butanoate
CID 81089164
methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate
CID 81489476

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate?
The IUPAC name of methyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate (CID 79815089) is methyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate.
What is the SMILES notation for methyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate?
The canonical SMILES for methyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate is CCC(N)(CC)C(=O)NCCCC(=O)OC.
What is the InChIKey of methyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate?
The InChIKey is HCPGBAQQDQSZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-11(12,5-2)10(15)13-8-6-7-9(14)16-3/h4-8,12H2,1-3H3,(H,13,15).
What are the key properties of methyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate?
methyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate has a molecular weight of 230.31 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate is sourced from PubChem (CID 79815089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).