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

C9H10ClNO2 — CID 13236064

IUPAC2-[(2-chlorophenyl)methylamino]acetic acid
SMILESO=C(O)CNCc1ccccc1Cl
InChIInChI=1S/C9H10ClNO2/c10-8-4-2-1-3-7(8)5-11-6-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeyCBQHOZRSTUYWGQ-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.51
Rot. Bonds4

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

2-[(2-chlorophenyl)methylamino]acetic acid (PubChem CID 13236064) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]acetic acid
PubChem CID13236064
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2-[(2-chlorophenyl)methylamino]acetic acid
SMILESO=C(O)CNCc1ccccc1Cl
InChIInChI=1S/C9H10ClNO2/c10-8-4-2-1-3-7(8)5-11-6-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeyCBQHOZRSTUYWGQ-UHFFFAOYSA-N
XLogP1.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]acetic acid?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]acetic acid (CID 13236064) is 2-[(2-chlorophenyl)methylamino]acetic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]acetic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]acetic acid is O=C(O)CNCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]acetic acid?
The InChIKey is CBQHOZRSTUYWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c10-8-4-2-1-3-7(8)5-11-6-9(12)13/h1-4,11H,5-6H2,(H,12,13).
What are the key properties of 2-[(2-chlorophenyl)methylamino]acetic acid?
2-[(2-chlorophenyl)methylamino]acetic acid has a molecular weight of 199.64 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]acetic acid is sourced from PubChem (CID 13236064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).