(2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid

C11H14ClNO2 — CID 93280138

IUPAC(2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid
SMILESCCN[C@](C)(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C11H14ClNO2/c1-3-13-11(2,10(14)15)8-6-4-5-7-9(8)12/h4-7,13H,3H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyYDHZQBMCKUUTBK-NSHDSACASA-N
MW227.69 g/mol
LogP2.25
Rot. Bonds4

About (2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid

(2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid (PubChem CID 93280138) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid
PubChem CID93280138
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid
SMILESCCN[C@](C)(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C11H14ClNO2/c1-3-13-11(2,10(14)15)8-6-4-5-7-9(8)12/h4-7,13H,3H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyYDHZQBMCKUUTBK-NSHDSACASA-N
XLogP2.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)-2-(ethylamino)propanoic acid
CID 43753845
(2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoic acid
CID 66925891
2-(2-chlorophenyl)-2-(ethylamino)propan-1-ol
CID 61050515
2-(2-chlorophenyl)-2-(diethylamino)propanoic acid
CID 43803614
1-(2-chlorophenyl)-2-(ethylamino)-2-methylpropan-1-one
CID 97356118
(2S)-2-(2,6-difluorophenyl)-2-(ethylamino)propanoic acid
CID 93280142
ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate
CID 60796649
ethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate
CID 60788388
2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid
CID 60992738
2-(2,5-dichlorophenyl)-2-(ethylamino)propanamide
CID 60787377
2-(2-chlorophenyl)-2-(1-thiophen-2-ylethylamino)propanoic acid
CID 66925893
ethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate
CID 60786030

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid?
The IUPAC name of (2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid (CID 93280138) is (2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid is CCN[C@](C)(C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid?
The InChIKey is YDHZQBMCKUUTBK-NSHDSACASA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-3-13-11(2,10(14)15)8-6-4-5-7-9(8)12/h4-7,13H,3H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid?
(2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid has a molecular weight of 227.69 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid is sourced from PubChem (CID 93280138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).