2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid

C10H12ClNO2 — CID 81354147

IUPAC2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid
SMILESC[C@H](NCC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2/c1-7(12-6-10(13)14)8-2-4-9(11)5-3-8/h2-5,7,12H,6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyLRONZKPYCUVHIF-ZETCQYMHSA-N
MW213.66 g/mol
LogP2.08
Rot. Bonds4

About 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid (PubChem CID 81354147) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid
PubChem CID81354147
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid
SMILESC[C@H](NCC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2/c1-7(12-6-10(13)14)8-2-4-9(11)5-3-8/h2-5,7,12H,6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyLRONZKPYCUVHIF-ZETCQYMHSA-N
XLogP2.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-propan-2-ylphenyl)ethylamino]acetic acid
CID 43135086
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propanoic acid
CID 81352269
2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679
2-[1-(4-iodophenyl)ethylamino]acetic acid
CID 43774198
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354162
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81352556
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid
CID 43545181
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328414
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8636133
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8637666

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid?
The IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid (CID 81354147) is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid is C[C@H](NCC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid?
The InChIKey is LRONZKPYCUVHIF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7(12-6-10(13)14)8-2-4-9(11)5-3-8/h2-5,7,12H,6H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid?
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid has a molecular weight of 213.66 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid is sourced from PubChem (CID 81354147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).