(2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride

C11H16ClNO4 — CID 71742199

IUPAC(2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
SMILESCOc1cc(C[C@H](N)C(=O)O)cc(OC)c1.Cl
InChIInChI=1S/C11H15NO4.ClH/c1-15-8-3-7(4-9(6-8)16-2)5-10(12)11(13)14;/h3-4,6,10H,5,12H2,1-2H3,(H,13,14);1H/t10-;/m0./s1
InChIKeyZUISSHJYZRLXRL-PPHPATTJSA-N
MW261.70 g/mol
LogP1.08
Rot. Bonds5

About (2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride

(2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride (PubChem CID 71742199) has the molecular formula C11H16ClNO4 and a molecular weight of 261.70 g/mol. Its IUPAC name is (2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
PubChem CID71742199
Molecular FormulaC11H16ClNO4
Molecular Weight261.70 g/mol
Exact Mass261.08
IUPAC Name(2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
SMILESCOc1cc(C[C@H](N)C(=O)O)cc(OC)c1.Cl
InChIInChI=1S/C11H15NO4.ClH/c1-15-8-3-7(4-9(6-8)16-2)5-10(12)11(13)14;/h3-4,6,10H,5,12H2,1-2H3,(H,13,14);1H/t10-;/m0./s1
InChIKeyZUISSHJYZRLXRL-PPHPATTJSA-N
XLogP1.08
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid
CID 39869077
(2R)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid
CID 39869075
(2S)-2-amino-3-(3-methoxy-5-nitrophenyl)propanoic acid
CID 106702750
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid
CID 55268885
3-(3,5-dimethoxyphenyl)-2-sulfanylpropanoic acid
CID 60795029
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
2-amino-3-(3,5-difluoro-4-methoxyphenyl)propanoic acid
CID 46737478
(2S)-2-amino-3-[3,5-bis(2-bromoethoxy)phenyl]propanoic acid
CID 118195792
3-(4-acetyloxy-3,5-dimethoxyphenyl)-2-aminopropanoic acid
CID 170879558
2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid
CID 12968475
2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride
CID 11380226

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride (CID 71742199) is (2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride is COc1cc(C[C@H](N)C(=O)O)cc(OC)c1.Cl.
What is the InChIKey of (2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride?
The InChIKey is ZUISSHJYZRLXRL-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15NO4.ClH/c1-15-8-3-7(4-9(6-8)16-2)5-10(12)11(13)14;/h3-4,6,10H,5,12H2,1-2H3,(H,13,14);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride?
(2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride has a molecular weight of 261.70 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 71742199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).