methyl 3-methyl-2-[4-(methylamino)butanoylamino]butanoate

C11H22N2O3 — CID 60841891

IUPACmethyl 3-methyl-2-[4-(methylamino)butanoylamino]butanoate
SMILESCNCCCC(=O)NC(C(=O)OC)C(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)10(11(15)16-4)13-9(14)6-5-7-12-3/h8,10,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyFEVKENPOOQVNSW-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.30
Rot. Bonds7

About methyl 3-methyl-2-[4-(methylamino)butanoylamino]butanoate

methyl 3-methyl-2-[4-(methylamino)butanoylamino]butanoate (PubChem CID 60841891) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 3-methyl-2-[4-(methylamino)butanoylamino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[4-(methylamino)butanoylamino]butanoate
PubChem CID60841891
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 3-methyl-2-[4-(methylamino)butanoylamino]butanoate
SMILESCNCCCC(=O)NC(C(=O)OC)C(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)10(11(15)16-4)13-9(14)6-5-7-12-3/h8,10,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyFEVKENPOOQVNSW-UHFFFAOYSA-N
XLogP0.30
TPSA67.43 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 ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-methyl-2-[4-(methylamino)butanoylamino]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 (2S)-2-[[6-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoyl]amino]-3-methylbutanoate
CID 177496792
methyl (2S)-3-methyl-2-[4-(propan-2-ylamino)butanoylamino]butanoate
CID 54904401
methyl (2S)-2-(6-aminohexanoylamino)-3-methylbutanoate
CID 43707609
methyl 2-[4-(2,2-dimethylpropanoylamino)butanoylamino]-3-methylbutanoate
CID 43422536
methyl (2S)-4-methyl-2-[4-(methylamino)butanoylamino]pentanoate
CID 113358137
methyl 2-(4-ethoxybutanoylamino)-3-methylbutanoate
CID 78975295
methyl (2S)-2-(3-bromopropanoylamino)-3-methylbutanoate
CID 25199247
(2S)-3-methyl-2-[4-(methylamino)butanoylamino]pentanoic acid
CID 61174333
methyl 3-methyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoate
CID 62623948
2-[(2S)-2-(4-aminobutanoylamino)-3-methylbutanoyl]oxyacetic acid
CID 88551584
6-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]-6-oxohexanoic acid
CID 43452308
N-but-3-yn-2-yl-4-(methylamino)butanamide
CID 114417259

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[4-(methylamino)butanoylamino]butanoate?
The IUPAC name of methyl 3-methyl-2-[4-(methylamino)butanoylamino]butanoate (CID 60841891) is methyl 3-methyl-2-[4-(methylamino)butanoylamino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[4-(methylamino)butanoylamino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[4-(methylamino)butanoylamino]butanoate is CNCCCC(=O)NC(C(=O)OC)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[4-(methylamino)butanoylamino]butanoate?
The InChIKey is FEVKENPOOQVNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)10(11(15)16-4)13-9(14)6-5-7-12-3/h8,10,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of methyl 3-methyl-2-[4-(methylamino)butanoylamino]butanoate?
methyl 3-methyl-2-[4-(methylamino)butanoylamino]butanoate has a molecular weight of 230.31 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[4-(methylamino)butanoylamino]butanoate is sourced from PubChem (CID 60841891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).