(2R)-2-(3-chloro-N-ethylanilino)propanoic acid

C11H14ClNO2 — CID 124583979

IUPAC(2R)-2-(3-chloro-N-ethylanilino)propanoic acid
SMILESCCN(c1cccc(Cl)c1)[C@H](C)C(=O)O
InChIInChI=1S/C11H14ClNO2/c1-3-13(8(2)11(14)15)10-6-4-5-9(12)7-10/h4-8H,3H2,1-2H3,(H,14,15)/t8-/m1/s1
InChIKeyORIMUKIVLUZOJA-MRVPVSSYSA-N
MW227.69 g/mol
LogP2.64
Rot. Bonds4

About (2R)-2-(3-chloro-N-ethylanilino)propanoic acid

(2R)-2-(3-chloro-N-ethylanilino)propanoic acid (PubChem CID 124583979) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (2R)-2-(3-chloro-N-ethylanilino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-chloro-N-ethylanilino)propanoic acid
PubChem CID124583979
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(2R)-2-(3-chloro-N-ethylanilino)propanoic acid
SMILESCCN(c1cccc(Cl)c1)[C@H](C)C(=O)O
InChIInChI=1S/C11H14ClNO2/c1-3-13(8(2)11(14)15)10-6-4-5-9(12)7-10/h4-8H,3H2,1-2H3,(H,14,15)/t8-/m1/s1
InChIKeyORIMUKIVLUZOJA-MRVPVSSYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid
CID 125045090
2-(N-ethyl-3-hydroxyanilino)propanoic acid
CID 107736740
2-(3-chloro-N-ethylsulfonylanilino)propanoic acid
CID 50890299
(2S)-2-[N-ethyl-3-(trifluoromethyl)anilino]propanoic acid
CID 100520412
(2S)-2-(N-acetyl-3-chloroanilino)propanoic acid
CID 150639121
(2R)-2-(2,4-dichloro-N-ethylanilino)propanoic acid
CID 125045037
(2R)-2-(3-chloro-N-propylanilino)butanoic acid
CID 125045045
2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid
CID 133150346
2-[3-chloro-N-(3-methylbutan-2-yl)anilino]acetic acid
CID 65058859
(2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid
CID 7393703
4-[1-carboxyethyl(ethyl)amino]benzoic acid
CID 90744202
3-[3-chloro-N-(1-phenylethyl)anilino]propanoic acid
CID 82318339

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-N-ethylanilino)propanoic acid?
The IUPAC name of (2R)-2-(3-chloro-N-ethylanilino)propanoic acid (CID 124583979) is (2R)-2-(3-chloro-N-ethylanilino)propanoic acid.
What is the SMILES notation for (2R)-2-(3-chloro-N-ethylanilino)propanoic acid?
The canonical SMILES for (2R)-2-(3-chloro-N-ethylanilino)propanoic acid is CCN(c1cccc(Cl)c1)[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-(3-chloro-N-ethylanilino)propanoic acid?
The InChIKey is ORIMUKIVLUZOJA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-3-13(8(2)11(14)15)10-6-4-5-9(12)7-10/h4-8H,3H2,1-2H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-N-ethylanilino)propanoic acid?
(2R)-2-(3-chloro-N-ethylanilino)propanoic acid has a molecular weight of 227.69 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-N-ethylanilino)propanoic acid is sourced from PubChem (CID 124583979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).