azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride

C7H21ClN2O4 — CID 174910345

IUPACazane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride
SMILESCCCNC(CCO)C(=O)O.Cl.N.O
InChIInChI=1S/C7H15NO3.ClH.H3N.H2O/c1-2-4-8-6(3-5-9)7(10)11;;;/h6,8-9H,2-5H2,1H3,(H,10,11);1H;1H3;1H2
InChIKeyVZGNJPQDRUFAOO-UHFFFAOYSA-N
MW232.71 g/mol
LogP-0.42
Rot. Bonds6

About azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride

azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride (PubChem CID 174910345) has the molecular formula C7H21ClN2O4 and a molecular weight of 232.71 g/mol. Its IUPAC name is azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride.

Molecular Properties

Compound Nameazane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride
PubChem CID174910345
Molecular FormulaC7H21ClN2O4
Molecular Weight232.71 g/mol
Exact Mass232.12
IUPAC Nameazane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride
SMILESCCCNC(CCO)C(=O)O.Cl.N.O
InChIInChI=1S/C7H15NO3.ClH.H3N.H2O/c1-2-4-8-6(3-5-9)7(10)11;;;/h6,8-9H,2-5H2,1H3,(H,10,11);1H;1H3;1H2
InChIKeyVZGNJPQDRUFAOO-UHFFFAOYSA-N
XLogP-0.42
TPSA136.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon
CID 174783521
disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate
CID 161259430
(2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid
CID 172821173
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
(2S)-4-acetyloxy-2-(propylamino)butanoic acid
CID 150823529

Frequently Asked Questions

What is the IUPAC name of azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride?
The IUPAC name of azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride (CID 174910345) is azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride.
What is the SMILES notation for azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride?
The canonical SMILES for azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride is CCCNC(CCO)C(=O)O.Cl.N.O.
What is the InChIKey of azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride?
The InChIKey is VZGNJPQDRUFAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3.ClH.H3N.H2O/c1-2-4-8-6(3-5-9)7(10)11;;;/h6,8-9H,2-5H2,1H3,(H,10,11);1H;1H3;1H2.
What are the key properties of azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride?
azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride has a molecular weight of 232.71 g/mol, XLogP of -0.42, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride is sourced from PubChem (CID 174910345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).