1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid

C12H19N3O4 — CID 122016509

IUPAC1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCN1CC(NC(=O)N2CCC(C(=O)O)C2)CC1=O
InChIInChI=1S/C12H19N3O4/c1-2-14-7-9(5-10(14)16)13-12(19)15-4-3-8(6-15)11(17)18/h8-9H,2-7H2,1H3,(H,13,19)(H,17,18)
InChIKeyPRDBLQGUMVXEBY-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.28
Rot. Bonds3

About 1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122016509) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122016509
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCN1CC(NC(=O)N2CCC(C(=O)O)C2)CC1=O
InChIInChI=1S/C12H19N3O4/c1-2-14-7-9(5-10(14)16)13-12(19)15-4-3-8(6-15)11(17)18/h8-9H,2-7H2,1H3,(H,13,19)(H,17,18)
InChIKeyPRDBLQGUMVXEBY-UHFFFAOYSA-N
XLogP-0.28
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124059
4-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122016510
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)piperidine-1-carboxamide
CID 122564760
1-[(3-ethoxycyclobutyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114120212
ethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate
CID 108876410
4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide
CID 125438861
4-[(3,5-dimethylphenyl)methyl]-N-(1-ethyl-5-oxopyrrolidin-3-yl)-3-oxopiperazine-1-carboxamide
CID 122560678
1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 64742360
N-(1-ethyl-5-oxopyrrolidin-3-yl)-2,2-diphenylacetamide
CID 136546634
4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60809527
N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122556418
3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 122016506

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 122016509) is 1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is CCN1CC(NC(=O)N2CCC(C(=O)O)C2)CC1=O.
What is the InChIKey of 1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is PRDBLQGUMVXEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-2-14-7-9(5-10(14)16)13-12(19)15-4-3-8(6-15)11(17)18/h8-9H,2-7H2,1H3,(H,13,19)(H,17,18).
What are the key properties of 1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122016509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).