(2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid

C7H17NO7S — CID 172821173

IUPAC(2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid
SMILESCCCN[C@@H](CCO)C(=O)O.O=S(=O)(O)O
InChIInChI=1S/C7H15NO3.H2O4S/c1-2-4-8-6(3-5-9)7(10)11;1-5(2,3)4/h6,8-9H,2-5H2,1H3,(H,10,11);(H2,1,2,3,4)/t6-;/m0./s1
InChIKeyUGAMLVNMNCTMHO-RGMNGODLSA-N
MW259.28 g/mol
LogP-0.83
Rot. Bonds6

About (2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid

(2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid (PubChem CID 172821173) has the molecular formula C7H17NO7S and a molecular weight of 259.28 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid
PubChem CID172821173
Molecular FormulaC7H17NO7S
Molecular Weight259.28 g/mol
Exact Mass259.07
IUPAC Name(2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid
SMILESCCCN[C@@H](CCO)C(=O)O.O=S(=O)(O)O
InChIInChI=1S/C7H15NO3.H2O4S/c1-2-4-8-6(3-5-9)7(10)11;1-5(2,3)4/h6,8-9H,2-5H2,1H3,(H,10,11);(H2,1,2,3,4)/t6-;/m0./s1
InChIKeyUGAMLVNMNCTMHO-RGMNGODLSA-N
XLogP-0.83
TPSA144.16 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 5-0.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon
CID 174783521
azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride
CID 174910345
disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate
CID 161259430
4-hydroxy-2-(propylamino)butanoic acid;pentane-1,1-diamine
CID 174939925
2-amino-3-hydroxybutanoic acid;4-hydroxy-2-(propylamino)butanoic acid;zinc
CID 174949324
2-aminoacetic acid;2-amino-3-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid
CID 174818632
(2S)-3-hydroxy-2-(propylamino)propanoic acid
CID 55287062
2-(propylamino)tetradecanoic acid
CID 54527307
(2S)-4-hydroxy-2-(3-hydroxydodecylamino)butanoic acid
CID 175590660
bis(2-amino-3-phenylpropanoic acid);4-hydroxy-2-(propylamino)butanoic acid
CID 174963682
4-ethoxy-2-(propylamino)butanoic acid
CID 63039311
2-(pentylamino)octanoic acid
CID 129188286

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid?
The IUPAC name of (2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid (CID 172821173) is (2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid.
What is the SMILES notation for (2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid?
The canonical SMILES for (2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid is CCCN[C@@H](CCO)C(=O)O.O=S(=O)(O)O.
What is the InChIKey of (2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid?
The InChIKey is UGAMLVNMNCTMHO-RGMNGODLSA-N. The full InChI is InChI=1S/C7H15NO3.H2O4S/c1-2-4-8-6(3-5-9)7(10)11;1-5(2,3)4/h6,8-9H,2-5H2,1H3,(H,10,11);(H2,1,2,3,4)/t6-;/m0./s1.
What are the key properties of (2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid?
(2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid has a molecular weight of 259.28 g/mol, XLogP of -0.83, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid is sourced from PubChem (CID 172821173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).