2-(3-chlorophenyl)-2-(dimethylamino)acetic acid;hydrochloride

C10H13Cl2NO2 — CID 50988471

IUPAC2-(3-chlorophenyl)-2-(dimethylamino)acetic acid;hydrochloride
SMILESCN(C)C(C(=O)O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C10H12ClNO2.ClH/c1-12(2)9(10(13)14)7-4-3-5-8(11)6-7;/h3-6,9H,1-2H3,(H,13,14);1H
InChIKeyWNDNOCYAFWOKHR-UHFFFAOYSA-N
MW250.12 g/mol
LogP2.45
Rot. Bonds3

About 2-(3-chlorophenyl)-2-(dimethylamino)acetic acid;hydrochloride

2-(3-chlorophenyl)-2-(dimethylamino)acetic acid;hydrochloride (PubChem CID 50988471) has the molecular formula C10H13Cl2NO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(dimethylamino)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(dimethylamino)acetic acid;hydrochloride
PubChem CID50988471
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12 g/mol
Exact Mass249.03
IUPAC Name2-(3-chlorophenyl)-2-(dimethylamino)acetic acid;hydrochloride
SMILESCN(C)C(C(=O)O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C10H12ClNO2.ClH/c1-12(2)9(10(13)14)7-4-3-5-8(11)6-7;/h3-6,9H,1-2H3,(H,13,14);1H
InChIKeyWNDNOCYAFWOKHR-UHFFFAOYSA-N
XLogP2.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzeneacetic acid, alpha-amino-4-chloro-
CID 587821
2-Amino-2-(3-chlorophenyl)acetic acid
CID 290730
2-Amino-2-(3-chloro-4-fluorophenyl)acetic acid
CID 2773727
(4-Methyl-piperidin-1-YL)-phenyl-acetic acid hydrochloride
CID 16192951
2-(2-Chlorophenyl)glycine
CID 290729
2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride
CID 16189437
2-(Methylamino)-2-phenylacetic acid
CID 228214
(+)-N-Methyl-L-phenylglycine
CID 681675
2-(4-Chlorophenyl)-2-(dimethylamino)acetic acid
CID 242172
Phenyl-pyrrolidin-1-yl-acetic acid
CID 646078
(2S)-2-amino-2-(2-chlorophenyl)acetic acid
CID 1501937
D-(+)-(2-Chlorophenyl)glycine
CID 1515293

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(dimethylamino)acetic acid;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-2-(dimethylamino)acetic acid;hydrochloride (CID 50988471) is 2-(3-chlorophenyl)-2-(dimethylamino)acetic acid;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(dimethylamino)acetic acid;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-2-(dimethylamino)acetic acid;hydrochloride is CN(C)C(C(=O)O)c1cccc(Cl)c1.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-2-(dimethylamino)acetic acid;hydrochloride?
The InChIKey is WNDNOCYAFWOKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2.ClH/c1-12(2)9(10(13)14)7-4-3-5-8(11)6-7;/h3-6,9H,1-2H3,(H,13,14);1H.
What are the key properties of 2-(3-chlorophenyl)-2-(dimethylamino)acetic acid;hydrochloride?
2-(3-chlorophenyl)-2-(dimethylamino)acetic acid;hydrochloride has a molecular weight of 250.12 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(dimethylamino)acetic acid;hydrochloride is sourced from PubChem (CID 50988471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).