2-[2-(3-chlorophenyl)propyl-methylamino]acetic acid

C12H16ClNO2 — CID 122035455

IUPAC2-[2-(3-chlorophenyl)propyl-methylamino]acetic acid
SMILESCC(CN(C)CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-9(7-14(2)8-12(15)16)10-4-3-5-11(13)6-10/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeySXRUPODMMLNVOH-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.46
Rot. Bonds5

About 2-[2-(3-chlorophenyl)propyl-methylamino]acetic acid

2-[2-(3-chlorophenyl)propyl-methylamino]acetic acid (PubChem CID 122035455) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)propyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)propyl-methylamino]acetic acid
PubChem CID122035455
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-[2-(3-chlorophenyl)propyl-methylamino]acetic acid
SMILESCC(CN(C)CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-9(7-14(2)8-12(15)16)10-4-3-5-11(13)6-10/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeySXRUPODMMLNVOH-UHFFFAOYSA-N
XLogP2.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(2-Chlorophenyl)methyl]pyrrolidin-1-yl]acetic acid
CID 75371969
(3-Chloro-benzylamino)-acetic acid
CID 427172
2-(((2-Chlorophenyl)methyl)(ethyl)amino)acetic acid hydrochloride
CID 102555145
2-{[(3-Chloro-2-methylphenyl)methyl](prop-2-yn-1-yl)amino}acetic acid
CID 136573254
N-[2-(2-chlorophenyl)ethyl]glycine
CID 13236090
N-[2-(4-chlorophenyl)ethyl]glycine
CID 57148080
N-[2-(3-chlorophenyl)ethyl]glycine
CID 82126888
2-[2-(4-Chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 100637475
3-[(3R)-3-(3-chlorophenyl)-2,2-dimethylpyrrolidin-1-yl]propanoic acid
CID 171359057
2-[[3-(3-chloro-5-fluorophenyl)-4-[(2S)-1-methylpyrrolidin-2-yl]butyl]-methylamino]acetic acid
CID 179073258
[(2-Chloro-benzyl)-ethyl-amino]-acetic acid
CID 39247201
2-[(2-Chloro-6-fluorophenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 39372909

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)propyl-methylamino]acetic acid?
The IUPAC name of 2-[2-(3-chlorophenyl)propyl-methylamino]acetic acid (CID 122035455) is 2-[2-(3-chlorophenyl)propyl-methylamino]acetic acid.
What is the SMILES notation for 2-[2-(3-chlorophenyl)propyl-methylamino]acetic acid?
The canonical SMILES for 2-[2-(3-chlorophenyl)propyl-methylamino]acetic acid is CC(CN(C)CC(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)propyl-methylamino]acetic acid?
The InChIKey is SXRUPODMMLNVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-9(7-14(2)8-12(15)16)10-4-3-5-11(13)6-10/h3-6,9H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-(3-chlorophenyl)propyl-methylamino]acetic acid?
2-[2-(3-chlorophenyl)propyl-methylamino]acetic acid has a molecular weight of 241.72 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)propyl-methylamino]acetic acid is sourced from PubChem (CID 122035455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).