2-(4-chlorophenyl)-2-(methylamino)acetic acid

C9H10ClNO2 — CID 10856486

IUPAC2-(4-chlorophenyl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c1-11-8(9(12)13)6-2-4-7(10)5-3-6/h2-5,8,11H,1H3,(H,12,13)
InChIKeyDDSXZUMDYFPVEP-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.69
Rot. Bonds3

About 2-(4-chlorophenyl)-2-(methylamino)acetic acid

2-(4-chlorophenyl)-2-(methylamino)acetic acid (PubChem CID 10856486) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(methylamino)acetic acid
PubChem CID10856486
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2-(4-chlorophenyl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c1-11-8(9(12)13)6-2-4-7(10)5-3-6/h2-5,8,11H,1H3,(H,12,13)
InChIKeyDDSXZUMDYFPVEP-UHFFFAOYSA-N
XLogP1.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(methylamino)acetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-(methylamino)acetic acid (CID 10856486) is 2-(4-chlorophenyl)-2-(methylamino)acetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(methylamino)acetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-(methylamino)acetic acid is CNC(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(methylamino)acetic acid?
The InChIKey is DDSXZUMDYFPVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-11-8(9(12)13)6-2-4-7(10)5-3-6/h2-5,8,11H,1H3,(H,12,13).
What are the key properties of 2-(4-chlorophenyl)-2-(methylamino)acetic acid?
2-(4-chlorophenyl)-2-(methylamino)acetic acid has a molecular weight of 199.64 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(methylamino)acetic acid is sourced from PubChem (CID 10856486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).