(2S)-4-hydroxy-2-[hydroxy(propyl)amino]butanoic acid

C7H15NO4 — CID 150344667

IUPAC(2S)-4-hydroxy-2-[hydroxy(propyl)amino]butanoic acid
SMILESCCCN(O)[C@@H](CCO)C(=O)O
InChIInChI=1S/C7H15NO4/c1-2-4-8(12)6(3-5-9)7(10)11/h6,9,12H,2-5H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyGSKZTSDUYIGYJY-LURJTMIESA-N
MW177.20 g/mol
LogP-0.08
Rot. Bonds6

About (2S)-4-hydroxy-2-[hydroxy(propyl)amino]butanoic acid

(2S)-4-hydroxy-2-[hydroxy(propyl)amino]butanoic acid (PubChem CID 150344667) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[hydroxy(propyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[hydroxy(propyl)amino]butanoic acid
PubChem CID150344667
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name(2S)-4-hydroxy-2-[hydroxy(propyl)amino]butanoic acid
SMILESCCCN(O)[C@@H](CCO)C(=O)O
InChIInChI=1S/C7H15NO4/c1-2-4-8(12)6(3-5-9)7(10)11/h6,9,12H,2-5H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyGSKZTSDUYIGYJY-LURJTMIESA-N
XLogP-0.08
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-4-hydroxy-2-[hydroxy(propyl)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

(2S)-2-[dodecyl(propyl)amino]-4-hydroxybutanoic acid
CID 158745889
2-[acetyl(propyl)amino]-3-hydroxypropanoic acid
CID 104711278
5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid
CID 134249161
(2S)-4-hydroxy-2-[methyl(propyl)amino]butanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 161376818
(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825581
2-(dihexylamino)-3-hydroxypropanoic acid
CID 175360727
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid
CID 107480763
(2S)-2-[(hexadecanoylamino)-tetradecylamino]-3-hydroxypropanoic acid
CID 87135234
2-(dipropylamino)-4-methoxybutanoic acid
CID 79694443
2-[ethyl(2-hydroxyethyl)amino]butanoic acid
CID 60981042
(2R)-2-(diethylamino)pentanoic acid
CID 30030442
2-[formyl(propyl)amino]hexanoic acid
CID 63689279

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[hydroxy(propyl)amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[hydroxy(propyl)amino]butanoic acid (CID 150344667) is (2S)-4-hydroxy-2-[hydroxy(propyl)amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[hydroxy(propyl)amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[hydroxy(propyl)amino]butanoic acid is CCCN(O)[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-2-[hydroxy(propyl)amino]butanoic acid?
The InChIKey is GSKZTSDUYIGYJY-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO4/c1-2-4-8(12)6(3-5-9)7(10)11/h6,9,12H,2-5H2,1H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[hydroxy(propyl)amino]butanoic acid?
(2S)-4-hydroxy-2-[hydroxy(propyl)amino]butanoic acid has a molecular weight of 177.20 g/mol, XLogP of -0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[hydroxy(propyl)amino]butanoic acid is sourced from PubChem (CID 150344667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).