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

C10H12ClNO2 — CID 13236090

IUPAC2-[2-(2-chlorophenyl)ethylamino]acetic acid
SMILESO=C(O)CNCCc1ccccc1Cl
InChIInChI=1S/C10H12ClNO2/c11-9-4-2-1-3-8(9)5-6-12-7-10(13)14/h1-4,12H,5-7H2,(H,13,14)
InChIKeyFNWVQQVYOIAOOR-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.56
Rot. Bonds5

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

2-[2-(2-chlorophenyl)ethylamino]acetic acid (PubChem CID 13236090) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethylamino]acetic acid
PubChem CID13236090
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-[2-(2-chlorophenyl)ethylamino]acetic acid
SMILESO=C(O)CNCCc1ccccc1Cl
InChIInChI=1S/C10H12ClNO2/c11-9-4-2-1-3-8(9)5-6-12-7-10(13)14/h1-4,12H,5-7H2,(H,13,14)
InChIKeyFNWVQQVYOIAOOR-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-(3-(2,6-Dichlorophenyl)acryloyl)glycine
CID 5813887
2-(Phenethylamino)acetic acid
CID 242245
N-[2-(2-chlorophenyl)ethyl]acetamide
CID 10397817
N-(2,6-dichlorobenzyl)valine
CID 3237092
2-{[(4-Chlorophenyl)methyl]amino}acetic acid hydrochloride
CID 24186629
(2S)-2-{[(4-chlorophenyl)methyl]amino}propanoic acid
CID 14259254
N-(2-chlorobenzyl)-2-methylalanine
CID 3235955
2-[2-[(2-Chlorophenyl)methyl]pyrrolidin-1-yl]acetic acid
CID 75371969
4-(2-Chlorophenyl)-1,2,3,6-tetrahydropyridine;2,2,2-trifluoroacetic acid
CID 145948336
(3-Chloro-benzylamino)-acetic acid
CID 427172
Methyl [(2-chlorobenzyl)amino]acetate
CID 15280940
3-{[(2-Chlorophenyl)methyl]amino}propanoic acid hydrochloride
CID 42916914

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethylamino]acetic acid?
The IUPAC name of 2-[2-(2-chlorophenyl)ethylamino]acetic acid (CID 13236090) is 2-[2-(2-chlorophenyl)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethylamino]acetic acid is O=C(O)CNCCc1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethylamino]acetic acid?
The InChIKey is FNWVQQVYOIAOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c11-9-4-2-1-3-8(9)5-6-12-7-10(13)14/h1-4,12H,5-7H2,(H,13,14).
What are the key properties of 2-[2-(2-chlorophenyl)ethylamino]acetic acid?
2-[2-(2-chlorophenyl)ethylamino]acetic acid has a molecular weight of 213.66 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethylamino]acetic acid is sourced from PubChem (CID 13236090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).