4-hydroxy-2-(2-methylpropylamino)butanoic acid

C8H17NO3 — CID 123309007

IUPAC4-hydroxy-2-(2-methylpropylamino)butanoic acid
SMILESCC(C)CNC(CCO)C(=O)O
InChIInChI=1S/C8H17NO3/c1-6(2)5-9-7(3-4-10)8(11)12/h6-7,9-10H,3-5H2,1-2H3,(H,11,12)
InChIKeyRXXQSNRPOIQRGM-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.07
Rot. Bonds6

About 4-hydroxy-2-(2-methylpropylamino)butanoic acid

4-hydroxy-2-(2-methylpropylamino)butanoic acid (PubChem CID 123309007) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methylpropylamino)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-(2-methylpropylamino)butanoic acid
PubChem CID123309007
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name4-hydroxy-2-(2-methylpropylamino)butanoic acid
SMILESCC(C)CNC(CCO)C(=O)O
InChIInChI=1S/C8H17NO3/c1-6(2)5-9-7(3-4-10)8(11)12/h6-7,9-10H,3-5H2,1-2H3,(H,11,12)
InChIKeyRXXQSNRPOIQRGM-UHFFFAOYSA-N
XLogP0.07
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-2-(2-methylpropylamino)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

3-hydroxy-2-(2-methylpropylamino)propanoic acid
CID 83635492
(2S)-2-(2-methylpropylamino)butanoic acid
CID 149001158
2-[(4-hydroxy-2-methylbutyl)amino]pentanoic acid
CID 83041748
(2S)-2-(2-methylpropylamino)-3-sulfanylpropanoic acid;hydrochloride
CID 87312397
2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid
CID 155788210
calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon
CID 174783521
(2S)-2,4-bis(2-methylpropylamino)-4-oxobutanoic acid
CID 2211191
2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid
CID 104903232
azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride
CID 174910345
(2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid
CID 172821173
disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate
CID 161259430
(2S)-2-hydrazinyl-4-hydroxybutanoic acid
CID 150765964

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-methylpropylamino)butanoic acid?
The IUPAC name of 4-hydroxy-2-(2-methylpropylamino)butanoic acid (CID 123309007) is 4-hydroxy-2-(2-methylpropylamino)butanoic acid.
What is the SMILES notation for 4-hydroxy-2-(2-methylpropylamino)butanoic acid?
The canonical SMILES for 4-hydroxy-2-(2-methylpropylamino)butanoic acid is CC(C)CNC(CCO)C(=O)O.
What is the InChIKey of 4-hydroxy-2-(2-methylpropylamino)butanoic acid?
The InChIKey is RXXQSNRPOIQRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(2)5-9-7(3-4-10)8(11)12/h6-7,9-10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 4-hydroxy-2-(2-methylpropylamino)butanoic acid?
4-hydroxy-2-(2-methylpropylamino)butanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-methylpropylamino)butanoic acid is sourced from PubChem (CID 123309007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).