5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid

C11H22N2O4 — CID 82689051

IUPAC5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid
SMILESCOCCC(N)C(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C11H22N2O4/c1-8(3-4-10(14)15)7-13-11(16)9(12)5-6-17-2/h8-9H,3-7,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyHRGXQRRYFPXCTE-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.03
Rot. Bonds9

About 5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid

5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid (PubChem CID 82689051) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid
PubChem CID82689051
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid
SMILESCOCCC(N)C(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C11H22N2O4/c1-8(3-4-10(14)15)7-13-11(16)9(12)5-6-17-2/h8-9H,3-7,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyHRGXQRRYFPXCTE-UHFFFAOYSA-N
XLogP-0.03
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid 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-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242
5-(2-aminohexanoylamino)-4-methylpentanoic acid
CID 82689054
2-amino-4-methoxy-N-(2-methoxypropyl)butanamide
CID 102695104
2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224019
5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 82688347
4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64890122
3-[[(2-amino-4-methoxybutanoyl)amino]methyl]pentanoic acid
CID 81073119
5-(2-ethylbutanoylamino)-4-methylpentanoic acid
CID 82010608
5-(methoxycarbonylamino)-4-methylpentanoic acid
CID 82017023
2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide
CID 81102467
2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide
CID 62473721
2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid
CID 79456586

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid (CID 82689051) is 5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid is COCCC(N)C(=O)NCC(C)CCC(=O)O.
What is the InChIKey of 5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid?
The InChIKey is HRGXQRRYFPXCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-8(3-4-10(14)15)7-13-11(16)9(12)5-6-17-2/h8-9H,3-7,12H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid?
5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid has a molecular weight of 246.31 g/mol, XLogP of -0.03, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82689051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).