(3S)-3-aminobutanoic acid;hydrochloride

C4H10ClNO2 — CID 2761505

IUPAC(3S)-3-aminobutanoic acid;hydrochloride
SMILESC[C@H](N)CC(=O)O.Cl
InChIInChI=1S/C4H9NO2.ClH/c1-3(5)2-4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H/t3-;/m0./s1
InChIKeyUHYVVUABAWKTJJ-DFWYDOINSA-N
MW139.58 g/mol
LogP0.23
Rot. Bonds2

About (3S)-3-aminobutanoic acid;hydrochloride

(3S)-3-aminobutanoic acid;hydrochloride (PubChem CID 2761505) has the molecular formula C4H10ClNO2 and a molecular weight of 139.58 g/mol. Its IUPAC name is (3S)-3-aminobutanoic acid;hydrochloride.

Molecular Properties

Compound Name(3S)-3-aminobutanoic acid;hydrochloride
PubChem CID2761505
Molecular FormulaC4H10ClNO2
Molecular Weight139.58 g/mol
Exact Mass139.04
IUPAC Name(3S)-3-aminobutanoic acid;hydrochloride
SMILESC[C@H](N)CC(=O)O.Cl
InChIInChI=1S/C4H9NO2.ClH/c1-3(5)2-4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H/t3-;/m0./s1
InChIKeyUHYVVUABAWKTJJ-DFWYDOINSA-N
XLogP0.23
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.58
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-aminobutanamide;hydrochloride
CID 57478871
3-(3-aminobutanoylamino)butanoic acid
CID 61160048
sodium;3,4-diaminopentanoic acid;hydride;iron
CID 173404535
hydrazine;3-methylbutanoic acid
CID 175217584
strontium;hydride;3-methylpentanedioic acid
CID 173490798
(3R)-4-amino-3-methylbutanoic acid;hydrochloride
CID 87721123
azane;3,4-diaminopentanoic acid
CID 173404371
3-methylbutanoic acid
CID 20849036
sodium;hydride;(3S)-3-hydroxybutanoic acid
CID 173289884
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
3-amino-4,4-dimethylpentanoic acid;hydrochloride
CID 89306426
3-amino-3-propan-2-ylsulfonylpropanoic acid
CID 117037441

Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminobutanoic acid;hydrochloride?
The IUPAC name of (3S)-3-aminobutanoic acid;hydrochloride (CID 2761505) is (3S)-3-aminobutanoic acid;hydrochloride.
What is the SMILES notation for (3S)-3-aminobutanoic acid;hydrochloride?
The canonical SMILES for (3S)-3-aminobutanoic acid;hydrochloride is C[C@H](N)CC(=O)O.Cl.
What is the InChIKey of (3S)-3-aminobutanoic acid;hydrochloride?
The InChIKey is UHYVVUABAWKTJJ-DFWYDOINSA-N. The full InChI is InChI=1S/C4H9NO2.ClH/c1-3(5)2-4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H/t3-;/m0./s1.
What are the key properties of (3S)-3-aminobutanoic acid;hydrochloride?
(3S)-3-aminobutanoic acid;hydrochloride has a molecular weight of 139.58 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminobutanoic acid;hydrochloride is sourced from PubChem (CID 2761505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).