(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride

C10H14ClNO3 — CID 24802313

IUPAC(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
SMILESCOc1ccc(C[C@H](N)C(=O)O)cc1.Cl
InChIInChI=1S/C10H13NO3.ClH/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13;/h2-5,9H,6,11H2,1H3,(H,12,13);1H/t9-;/m0./s1
InChIKeyOWJANEXICRZDJT-FVGYRXGTSA-N
MW231.68 g/mol
LogP1.07
Rot. Bonds4

About (2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride

(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride (PubChem CID 24802313) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
PubChem CID24802313
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
SMILESCOc1ccc(C[C@H](N)C(=O)O)cc1.Cl
InChIInChI=1S/C10H13NO3.ClH/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13;/h2-5,9H,6,11H2,1H3,(H,12,13);1H/t9-;/m0./s1
InChIKeyOWJANEXICRZDJT-FVGYRXGTSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
(2S)-2-amino-3-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanoic acid
CID 162650291
2-amino-4-[(4-methoxyphenyl)methyl]pentanedioic acid
CID 53396139
(2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
CID 71742199
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
(2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid
CID 67243066
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
2-amino-3-[4-[hydroxy(methoxy)boranyl]oxyphenyl]propanoic acid
CID 175188819
2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid
CID 12968475
(2R)-2-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-3-(4-methoxyphenyl)propanoic acid;(2S)-2-[[(2R)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-3-(4-methoxyphenyl)propanoic acid;methane
CID 160621097

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride (CID 24802313) is (2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride is COc1ccc(C[C@H](N)C(=O)O)cc1.Cl.
What is the InChIKey of (2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride?
The InChIKey is OWJANEXICRZDJT-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H13NO3.ClH/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13;/h2-5,9H,6,11H2,1H3,(H,12,13);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride?
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 24802313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).