1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid

C14H17ClN2O4 — CID 114351786

IUPAC1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCc1ccc(Cl)cc1NC(=O)CN1CC(O)CC1C(=O)O
InChIInChI=1S/C14H17ClN2O4/c1-8-2-3-9(15)4-11(8)16-13(19)7-17-6-10(18)5-12(17)14(20)21/h2-4,10,12,18H,5-7H2,1H3,(H,16,19)(H,20,21)
InChIKeyOQDCZINSSFRXRG-UHFFFAOYSA-N
MW312.75 g/mol
LogP1.11
Rot. Bonds4

About 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 114351786) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID114351786
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCc1ccc(Cl)cc1NC(=O)CN1CC(O)CC1C(=O)O
InChIInChI=1S/C14H17ClN2O4/c1-8-2-3-9(15)4-11(8)16-13(19)7-17-6-10(18)5-12(17)14(20)21/h2-4,10,12,18H,5-7H2,1H3,(H,16,19)(H,20,21)
InChIKeyOQDCZINSSFRXRG-UHFFFAOYSA-N
XLogP1.11
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351274
1-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351280
N-(5-chloro-2-methylphenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62734054
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
benzyl (2S,4S)-2-[(5-chloro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 126011687
N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride
CID 119923981
2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435125
N-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide
CID 106129889
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441373
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 103441774
N-(5-chloro-2-methylphenyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 23306599
1-[2-(3-bromoanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351769

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 114351786) is 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid is Cc1ccc(Cl)cc1NC(=O)CN1CC(O)CC1C(=O)O.
What is the InChIKey of 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is OQDCZINSSFRXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-8-2-3-9(15)4-11(8)16-13(19)7-17-6-10(18)5-12(17)14(20)21/h2-4,10,12,18H,5-7H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 312.75 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).