(2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid

C10H20N2O4 — CID 162915432

IUPAC(2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid
SMILESCC[C@H](C)CNC(=O)[C@@H](O)C[C@H](N)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-6(2)5-12-9(14)8(13)4-7(11)10(15)16/h6-8,13H,3-5,11H2,1-2H3,(H,12,14)(H,15,16)/t6-,7-,8-/m0/s1
InChIKeyWTYNCKUPEBKPHK-FXQIFTODSA-N
MW232.28 g/mol
LogP-0.69
Rot. Bonds7

About (2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid

(2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid (PubChem CID 162915432) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid
PubChem CID162915432
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid
SMILESCC[C@H](C)CNC(=O)[C@@H](O)C[C@H](N)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-6(2)5-12-9(14)8(13)4-7(11)10(15)16/h6-8,13H,3-5,11H2,1-2H3,(H,12,14)(H,15,16)/t6-,7-,8-/m0/s1
InChIKeyWTYNCKUPEBKPHK-FXQIFTODSA-N
XLogP-0.69
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid (CID 162915432) is (2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid is CC[C@H](C)CNC(=O)[C@@H](O)C[C@H](N)C(=O)O.
What is the InChIKey of (2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid?
The InChIKey is WTYNCKUPEBKPHK-FXQIFTODSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-6(2)5-12-9(14)8(13)4-7(11)10(15)16/h6-8,13H,3-5,11H2,1-2H3,(H,12,14)(H,15,16)/t6-,7-,8-/m0/s1.
What are the key properties of (2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid?
(2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.69, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 162915432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).