3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride

C10H13Cl2NO3 — CID 122714136

IUPAC3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride
SMILESCOc1cc(Cl)cc(C(N)CC(=O)O)c1.Cl
InChIInChI=1S/C10H12ClNO3.ClH/c1-15-8-3-6(2-7(11)4-8)9(12)5-10(13)14;/h2-4,9H,5,12H2,1H3,(H,13,14);1H
InChIKeyUNSVDYBHADSVOU-UHFFFAOYSA-N
MW266.12 g/mol
LogP2.24
Rot. Bonds4

About 3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride

3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride (PubChem CID 122714136) has the molecular formula C10H13Cl2NO3 and a molecular weight of 266.12 g/mol. Its IUPAC name is 3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride
PubChem CID122714136
Molecular FormulaC10H13Cl2NO3
Molecular Weight266.12 g/mol
Exact Mass265.03
IUPAC Name3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride
SMILESCOc1cc(Cl)cc(C(N)CC(=O)O)c1.Cl
InChIInChI=1S/C10H12ClNO3.ClH/c1-15-8-3-6(2-7(11)4-8)9(12)5-10(13)14;/h2-4,9H,5,12H2,1H3,(H,13,14);1H
InChIKeyUNSVDYBHADSVOU-UHFFFAOYSA-N
XLogP2.24
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
CID 155888018
(3S)-3-amino-3-[3-chloro-5-(2-methoxyethyl)phenyl]propanoic acid
CID 144557150
(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24832880
(3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid
CID 103693096
(3S)-3-amino-3-(3,5-dimethoxyphenyl)propanamide
CID 29059837
(3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide
CID 29059840
3-amino-3-(3-chloro-4-methoxy-5-propan-2-ylphenyl)propanoic acid
CID 117432170
3-amino-3-(5-chloro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117366506
3-amino-3-(3-chloro-4,5-dimethoxyphenyl)propanoic acid
CID 170872581
(3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid
CID 124514915
3-amino-3-(3,5-dimethoxy-2-methylphenyl)propanoic acid
CID 117350570
3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 82366864

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride?
The IUPAC name of 3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride (CID 122714136) is 3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride?
The canonical SMILES for 3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride is COc1cc(Cl)cc(C(N)CC(=O)O)c1.Cl.
What is the InChIKey of 3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride?
The InChIKey is UNSVDYBHADSVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3.ClH/c1-15-8-3-6(2-7(11)4-8)9(12)5-10(13)14;/h2-4,9H,5,12H2,1H3,(H,13,14);1H.
What are the key properties of 3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride?
3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride has a molecular weight of 266.12 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 122714136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).