(2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid

C10H20N2O3 — CID 82689262

IUPAC(2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid
SMILESCC[C@H](NC(=O)CCC(C)CN)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-8(10(14)15)12-9(13)5-4-7(2)6-11/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)/t7?,8-/m0/s1
InChIKeyRIEGELJDDVBVQG-MQWKRIRWSA-N
MW216.28 g/mol
LogP0.34
Rot. Bonds7

About (2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid

(2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid (PubChem CID 82689262) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid
PubChem CID82689262
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid
SMILESCC[C@H](NC(=O)CCC(C)CN)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-8(10(14)15)12-9(13)5-4-7(2)6-11/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)/t7?,8-/m0/s1
InChIKeyRIEGELJDDVBVQG-MQWKRIRWSA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic 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

(2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82012413
2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82010708
(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid
CID 129361384
2-[(5-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid
CID 82011210
2-(5-aminohexanoylamino)butanoic acid
CID 82851641
2-[(5-amino-4-methylpentanoyl)amino]-3-phenylpropanoic acid
CID 82012634
(2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid
CID 82010947
2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid
CID 82012633
2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid
CID 119223676
2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid
CID 82689234
3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82687956
5-amino-N-heptan-2-yl-4-methylpentanamide
CID 82012192

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid?
The IUPAC name of (2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid (CID 82689262) is (2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid?
The canonical SMILES for (2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid is CC[C@H](NC(=O)CCC(C)CN)C(=O)O.
What is the InChIKey of (2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid?
The InChIKey is RIEGELJDDVBVQG-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-8(10(14)15)12-9(13)5-4-7(2)6-11/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid?
(2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid is sourced from PubChem (CID 82689262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).