methyl 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoate

C12H24N2O4 — CID 114227387

IUPACmethyl 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoate
SMILESCCOC(CN)CC(=O)NC(C(=O)OC)C(C)C
InChIInChI=1S/C12H24N2O4/c1-5-18-9(7-13)6-10(15)14-11(8(2)3)12(16)17-4/h8-9,11H,5-7,13H2,1-4H3,(H,14,15)
InChIKeyLFWQORQSURNQNN-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.05
Rot. Bonds8

About methyl 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoate

methyl 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoate (PubChem CID 114227387) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is methyl 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoate
PubChem CID114227387
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Namemethyl 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoate
SMILESCCOC(CN)CC(=O)NC(C(=O)OC)C(C)C
InChIInChI=1S/C12H24N2O4/c1-5-18-9(7-13)6-10(15)14-11(8(2)3)12(16)17-4/h8-9,11H,5-7,13H2,1-4H3,(H,14,15)
InChIKeyLFWQORQSURNQNN-UHFFFAOYSA-N
XLogP0.05
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoate 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,3S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-methylpentanoate
CID 120590169
2-[(4-amino-3-ethoxybutanoyl)amino]-3-methoxypropanoic acid
CID 114227516
3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid
CID 114227468
4-amino-3-methoxy-N-(3-methylbutan-2-yl)butanamide
CID 103154290
methyl (2S)-2-[[6-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoyl]amino]-3-methylbutanoate
CID 177496792
ethyl (2R)-2-[[(3S)-3-hydroxybutanoyl]amino]-3-methylbutanoate
CID 170194218
methyl (2S)-2-(6-aminohexanoylamino)-3-methylbutanoate
CID 43707609
4-amino-N-(2-ethoxypropyl)-3-methoxybutanamide
CID 103156665
methyl 2-(4-ethoxybutanoylamino)-3-methylbutanoate
CID 78975295
methyl (2S)-2-(3-bromopropanoylamino)-3-methylbutanoate
CID 25199247
4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide
CID 103155921
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide
CID 103156180

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoate (CID 114227387) is methyl 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoate is CCOC(CN)CC(=O)NC(C(=O)OC)C(C)C.
What is the InChIKey of methyl 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoate?
The InChIKey is LFWQORQSURNQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-18-9(7-13)6-10(15)14-11(8(2)3)12(16)17-4/h8-9,11H,5-7,13H2,1-4H3,(H,14,15).
What are the key properties of methyl 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoate?
methyl 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoate has a molecular weight of 260.33 g/mol, XLogP of 0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 114227387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).