1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid

C16H18ClN3O4 — CID 122003176

IUPAC1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NC2CCN(c3ccc(Cl)cc3)C2=O)C1
InChIInChI=1S/C16H18ClN3O4/c17-11-1-3-12(4-2-11)20-8-6-13(14(20)21)18-16(24)19-7-5-10(9-19)15(22)23/h1-4,10,13H,5-9H2,(H,18,24)(H,22,23)
InChIKeyYGDOEWZKYFMHQQ-UHFFFAOYSA-N
MW351.79 g/mol
LogP1.56
Rot. Bonds3

About 1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid

1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122003176) has the molecular formula C16H18ClN3O4 and a molecular weight of 351.79 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122003176
Molecular FormulaC16H18ClN3O4
Molecular Weight351.79 g/mol
Exact Mass351.10
IUPAC Name1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NC2CCN(c3ccc(Cl)cc3)C2=O)C1
InChIInChI=1S/C16H18ClN3O4/c17-11-1-3-12(4-2-11)20-8-6-13(14(20)21)18-16(24)19-7-5-10(9-19)15(22)23/h1-4,10,13H,5-9H2,(H,18,24)(H,22,23)
InChIKeyYGDOEWZKYFMHQQ-UHFFFAOYSA-N
XLogP1.56
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703381
1-[1-(4-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354042
4-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122003178
1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122001630
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119798470
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111539971
2-amino-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 119332076
4-[[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122009226
5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119137618
1-[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353711
1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid
CID 10422408
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide
CID 119798450

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 122003176) is 1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)NC2CCN(c3ccc(Cl)cc3)C2=O)C1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YGDOEWZKYFMHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4/c17-11-1-3-12(4-2-11)20-8-6-13(14(20)21)18-16(24)19-7-5-10(9-19)15(22)23/h1-4,10,13H,5-9H2,(H,18,24)(H,22,23).
What are the key properties of 1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 351.79 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122003176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).