(2R)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate

C13H15ClNO3- — CID 6937398

IUPAC(2R)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate
SMILESCC[C@H](CCC(=O)Nc1ccccc1Cl)C(=O)[O-]
InChIInChI=1S/C13H16ClNO3/c1-2-9(13(17)18)7-8-12(16)15-11-6-4-3-5-10(11)14/h3-6,9H,2,7-8H2,1H3,(H,15,16)(H,17,18)/p-1/t9-/m1/s1
InChIKeySGAOPLDVXUIGHF-SECBINFHSA-M
MW268.72 g/mol
LogP1.83
Rot. Bonds6

About (2R)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate

(2R)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate (PubChem CID 6937398) has the molecular formula C13H15ClNO3- and a molecular weight of 268.72 g/mol. Its IUPAC name is (2R)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate.

Molecular Properties

Compound Name(2R)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate
PubChem CID6937398
Molecular FormulaC13H15ClNO3-
Molecular Weight268.72 g/mol
Exact Mass268.07
IUPAC Name(2R)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate
SMILESCC[C@H](CCC(=O)Nc1ccccc1Cl)C(=O)[O-]
InChIInChI=1S/C13H16ClNO3/c1-2-9(13(17)18)7-8-12(16)15-11-6-4-3-5-10(11)14/h3-6,9H,2,7-8H2,1H3,(H,15,16)(H,17,18)/p-1/t9-/m1/s1
InChIKeySGAOPLDVXUIGHF-SECBINFHSA-M
XLogP1.83
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate
CID 6937397
3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide
CID 109013172
N-(2-chlorophenyl)hexanamide
CID 4644560
5-(2-chloroanilino)-2-ethyl-3-methyl-5-oxopentanoic acid
CID 3152083
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
N-(2-chlorophenyl)octanamide
CID 2292983
N-(2-chlorophenyl)-3-(ethylamino)propanamide
CID 62832290
5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid
CID 3527974
N-(2-chlorophenyl)-3-methylsulfonylpropanamide
CID 47160250
2-[3-(2-chloroanilino)-3-oxopropyl]sulfanyl-3-methylbutanoic acid
CID 105354169
N-(2-chlorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide
CID 62021726
5-(2-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 45126722

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate?
The IUPAC name of (2R)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate (CID 6937398) is (2R)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate.
What is the SMILES notation for (2R)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate?
The canonical SMILES for (2R)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate is CC[C@H](CCC(=O)Nc1ccccc1Cl)C(=O)[O-].
What is the InChIKey of (2R)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate?
The InChIKey is SGAOPLDVXUIGHF-SECBINFHSA-M. The full InChI is InChI=1S/C13H16ClNO3/c1-2-9(13(17)18)7-8-12(16)15-11-6-4-3-5-10(11)14/h3-6,9H,2,7-8H2,1H3,(H,15,16)(H,17,18)/p-1/t9-/m1/s1.
What are the key properties of (2R)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate?
(2R)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate has a molecular weight of 268.72 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate is sourced from PubChem (CID 6937398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).