(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride

C10H14ClNO3 — CID 24832880

IUPAC(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
SMILESCOc1ccc([C@@H](N)CC(=O)O)cc1.Cl
InChIInChI=1S/C10H13NO3.ClH/c1-14-8-4-2-7(3-5-8)9(11)6-10(12)13;/h2-5,9H,6,11H2,1H3,(H,12,13);1H/t9-;/m0./s1
InChIKeyLKZFSIJHSJAFJK-FVGYRXGTSA-N
MW231.68 g/mol
LogP1.59
Rot. Bonds4

About (3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride

(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride (PubChem CID 24832880) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is (3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
PubChem CID24832880
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
SMILESCOc1ccc([C@@H](N)CC(=O)O)cc1.Cl
InChIInChI=1S/C10H13NO3.ClH/c1-14-8-4-2-7(3-5-8)9(11)6-10(12)13;/h2-5,9H,6,11H2,1H3,(H,12,13);1H/t9-;/m0./s1
InChIKeyLKZFSIJHSJAFJK-FVGYRXGTSA-N
XLogP1.59
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 82366864
4-amino-4-(4-methoxyphenyl)butanoic acid;hydrochloride
CID 71757574
3-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
CID 155888018
3-amino-3-[4-(2-methoxyphenoxy)phenyl]propanoic acid
CID 135367552
(3R)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid
CID 26581852
(3S)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid
CID 26581848
(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid
CID 2060966
(3R)-3-amino-3-[4-(2-methylpropoxy)phenyl]propanoic acid
CID 776432
(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 101486990
(2S,4S)-2,4-diamino-4-(4-methoxyphenyl)butanoic acid
CID 129462911
(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
CID 670404
3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride
CID 122714136

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride?
The IUPAC name of (3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride (CID 24832880) is (3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride is COc1ccc([C@@H](N)CC(=O)O)cc1.Cl.
What is the InChIKey of (3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride?
The InChIKey is LKZFSIJHSJAFJK-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H13NO3.ClH/c1-14-8-4-2-7(3-5-8)9(11)6-10(12)13;/h2-5,9H,6,11H2,1H3,(H,12,13);1H/t9-;/m0./s1.
What are the key properties of (3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride?
(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 24832880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).