(2S)-4-hydroxy-2-(3-hydroxydodecylamino)butanoic acid

C16H33NO4 — CID 175590660

IUPAC(2S)-4-hydroxy-2-(3-hydroxydodecylamino)butanoic acid
SMILESCCCCCCCCCC(O)CCN[C@@H](CCO)C(=O)O
InChIInChI=1S/C16H33NO4/c1-2-3-4-5-6-7-8-9-14(19)10-12-17-15(11-13-18)16(20)21/h14-15,17-19H,2-13H2,1H3,(H,20,21)/t14?,15-/m0/s1
InChIKeyHXOUZSIWAGSBKO-LOACHALJSA-N
MW303.44 g/mol
LogP2.30
Rot. Bonds15

About (2S)-4-hydroxy-2-(3-hydroxydodecylamino)butanoic acid

(2S)-4-hydroxy-2-(3-hydroxydodecylamino)butanoic acid (PubChem CID 175590660) has the molecular formula C16H33NO4 and a molecular weight of 303.44 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-(3-hydroxydodecylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-(3-hydroxydodecylamino)butanoic acid
PubChem CID175590660
Molecular FormulaC16H33NO4
Molecular Weight303.44 g/mol
Exact Mass303.24
IUPAC Name(2S)-4-hydroxy-2-(3-hydroxydodecylamino)butanoic acid
SMILESCCCCCCCCCC(O)CCN[C@@H](CCO)C(=O)O
InChIInChI=1S/C16H33NO4/c1-2-3-4-5-6-7-8-9-14(19)10-12-17-15(11-13-18)16(20)21/h14-15,17-19H,2-13H2,1H3,(H,20,21)/t14?,15-/m0/s1
InChIKeyHXOUZSIWAGSBKO-LOACHALJSA-N
XLogP2.30
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-4-hydroxy-2-(3-hydroxydodecylamino)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

2-(3-hydroxyoctylamino)nonanedioic acid
CID 88722519
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
2-(propylamino)tetradecanoic acid
CID 54527307
2-(pentylamino)octanoic acid
CID 129188286
calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon
CID 174783521
2-(dodecylamino)hexanoic acid
CID 139637216
4-hydroxy-2-(propylamino)butanoic acid;pentane-1,1-diamine
CID 174939925
azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride
CID 174910345
disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate
CID 161259430
(2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid
CID 172821173
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
(2S)-2-(6-carboxyhexylamino)decanoic acid
CID 124673847

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-(3-hydroxydodecylamino)butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-(3-hydroxydodecylamino)butanoic acid (CID 175590660) is (2S)-4-hydroxy-2-(3-hydroxydodecylamino)butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-(3-hydroxydodecylamino)butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-(3-hydroxydodecylamino)butanoic acid is CCCCCCCCCC(O)CCN[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-2-(3-hydroxydodecylamino)butanoic acid?
The InChIKey is HXOUZSIWAGSBKO-LOACHALJSA-N. The full InChI is InChI=1S/C16H33NO4/c1-2-3-4-5-6-7-8-9-14(19)10-12-17-15(11-13-18)16(20)21/h14-15,17-19H,2-13H2,1H3,(H,20,21)/t14?,15-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-(3-hydroxydodecylamino)butanoic acid?
(2S)-4-hydroxy-2-(3-hydroxydodecylamino)butanoic acid has a molecular weight of 303.44 g/mol, XLogP of 2.30, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-(3-hydroxydodecylamino)butanoic acid is sourced from PubChem (CID 175590660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).