(2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid

C9H18N2O4 — CID 107835763

IUPAC(2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid
SMILESCC(CCCN)C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-6(3-2-4-10)8(13)11-5-7(12)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)/t6?,7-/m0/s1
InChIKeyKPFDBJUITWURPM-MLWJPKLSSA-N
MW218.25 g/mol
LogP-1.08
Rot. Bonds7

About (2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid

(2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid (PubChem CID 107835763) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid
PubChem CID107835763
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name(2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid
SMILESCC(CCCN)C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-6(3-2-4-10)8(13)11-5-7(12)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)/t6?,7-/m0/s1
InChIKeyKPFDBJUITWURPM-MLWJPKLSSA-N
XLogP-1.08
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic 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-hydroxy-3-(2-methylbutanoylamino)propanoic acid
CID 66167020
5-amino-N-ethyl-2-methylpentanamide
CID 134525204
(2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid
CID 103868754
4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide
CID 107221139
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide
CID 104685574
(2S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropanoic acid
CID 107835890
5-amino-2-methyl-N-(7-methyloctyl)pentanamide
CID 104684762
(2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 104685369
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
N-(2,5-diaminopentyl)-2-methylpropanamide
CID 147648590

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid (CID 107835763) is (2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid is CC(CCCN)C(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid?
The InChIKey is KPFDBJUITWURPM-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-6(3-2-4-10)8(13)11-5-7(12)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)/t6?,7-/m0/s1.
What are the key properties of (2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid?
(2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid has a molecular weight of 218.25 g/mol, XLogP of -1.08, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107835763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).