2-amino-4-hydroxy-5-(2-methylbutylamino)-5-oxopentanoic acid

C10H20N2O4 — CID 162915431

IUPAC2-amino-4-hydroxy-5-(2-methylbutylamino)-5-oxopentanoic acid
SMILESCCC(C)CNC(=O)C(O)CC(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)
InChIKeyWTYNCKUPEBKPHK-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.69
Rot. Bonds7

About 2-amino-4-hydroxy-5-(2-methylbutylamino)-5-oxopentanoic acid

2-amino-4-hydroxy-5-(2-methylbutylamino)-5-oxopentanoic acid (PubChem CID 162915431) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-amino-4-hydroxy-5-(2-methylbutylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-4-hydroxy-5-(2-methylbutylamino)-5-oxopentanoic acid
PubChem CID162915431
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-amino-4-hydroxy-5-(2-methylbutylamino)-5-oxopentanoic acid
SMILESCCC(C)CNC(=O)C(O)CC(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)
InChIKeyWTYNCKUPEBKPHK-UHFFFAOYSA-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 2-amino-4-hydroxy-5-(2-methylbutylamino)-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

Related Compounds

(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908
2-amino-N-(2-methylbutyl)butanediamide
CID 62692665
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
(2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid
CID 155095224
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
[(2S)-2-methylbutyl]carbamic acid
CID 147069594
2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121
(2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide
CID 104908379
(2R)-2-amino-4-hydroxypentanedioic acid
CID 59133640
(2S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropanoic acid
CID 107835890
2-(aminomethyl)-N-(2-methylbutyl)butanamide
CID 62691581
(2S)-2-amino-4-methylpentanoic acid;methyl 2-hydroxybutanoate
CID 131724020

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-5-(2-methylbutylamino)-5-oxopentanoic acid?
The IUPAC name of 2-amino-4-hydroxy-5-(2-methylbutylamino)-5-oxopentanoic acid (CID 162915431) is 2-amino-4-hydroxy-5-(2-methylbutylamino)-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-4-hydroxy-5-(2-methylbutylamino)-5-oxopentanoic acid?
The canonical SMILES for 2-amino-4-hydroxy-5-(2-methylbutylamino)-5-oxopentanoic acid is CCC(C)CNC(=O)C(O)CC(N)C(=O)O.
What is the InChIKey of 2-amino-4-hydroxy-5-(2-methylbutylamino)-5-oxopentanoic acid?
The InChIKey is WTYNCKUPEBKPHK-UHFFFAOYSA-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).
What are the key properties of 2-amino-4-hydroxy-5-(2-methylbutylamino)-5-oxopentanoic acid?
2-amino-4-hydroxy-5-(2-methylbutylamino)-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 2-amino-4-hydroxy-5-(2-methylbutylamino)-5-oxopentanoic acid is sourced from PubChem (CID 162915431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).