5-(2-chloroanilino)-2-ethyl-3-methyl-5-oxopentanoic acid

C14H18ClNO3 — CID 3152083

IUPAC5-(2-chloroanilino)-2-ethyl-3-methyl-5-oxopentanoic acid
SMILESCCC(C(=O)O)C(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-3-10(14(18)19)9(2)8-13(17)16-12-7-5-4-6-11(12)15/h4-7,9-10H,3,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyJWHKFEZKCQDMDJ-UHFFFAOYSA-N
MW283.75 g/mol
LogP3.42
Rot. Bonds6

About 5-(2-chloroanilino)-2-ethyl-3-methyl-5-oxopentanoic acid

5-(2-chloroanilino)-2-ethyl-3-methyl-5-oxopentanoic acid (PubChem CID 3152083) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 5-(2-chloroanilino)-2-ethyl-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-chloroanilino)-2-ethyl-3-methyl-5-oxopentanoic acid
PubChem CID3152083
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name5-(2-chloroanilino)-2-ethyl-3-methyl-5-oxopentanoic acid
SMILESCCC(C(=O)O)C(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-3-10(14(18)19)9(2)8-13(17)16-12-7-5-4-6-11(12)15/h4-7,9-10H,3,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyJWHKFEZKCQDMDJ-UHFFFAOYSA-N
XLogP3.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

sodium 5-(2-chloroanilino)-3-methyl-5-oxo-2-propylpentanoic acid
CID 126467976
5-(2-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 45126722
(2R,3S)-2-[(2-chlorophenyl)carbamoylamino]-3-methylpentanoic acid
CID 51554188
(2R)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate
CID 6937398
(2S)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate
CID 6937397
4-(2-chloroanilino)-2-(3-methylbutylamino)-4-oxobutanoic acid
CID 4047914
2-[2-(2-chloroanilino)-2-oxoethyl]sulfinylpropanoic acid
CID 54883256
[2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772957
3-amino-N-(2-chlorophenyl)-3-phenylpropanamide
CID 24695343
3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide
CID 109013172
4-(2-chloroanilino)-4-oxo-2-(3-propan-2-yloxypropylamino)butanoic acid
CID 18580979
2-(benzylamino)-4-(2-chloroanilino)-4-oxobutanoic acid
CID 3379413

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroanilino)-2-ethyl-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(2-chloroanilino)-2-ethyl-3-methyl-5-oxopentanoic acid (CID 3152083) is 5-(2-chloroanilino)-2-ethyl-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-chloroanilino)-2-ethyl-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2-chloroanilino)-2-ethyl-3-methyl-5-oxopentanoic acid is CCC(C(=O)O)C(C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of 5-(2-chloroanilino)-2-ethyl-3-methyl-5-oxopentanoic acid?
The InChIKey is JWHKFEZKCQDMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-3-10(14(18)19)9(2)8-13(17)16-12-7-5-4-6-11(12)15/h4-7,9-10H,3,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-(2-chloroanilino)-2-ethyl-3-methyl-5-oxopentanoic acid?
5-(2-chloroanilino)-2-ethyl-3-methyl-5-oxopentanoic acid has a molecular weight of 283.75 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroanilino)-2-ethyl-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 3152083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).