1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

C12H19N3O4 — CID 114156297

IUPAC1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C1CC(NC(=O)NCC2(C(=O)O)CCCC2)CN1
InChIInChI=1S/C12H19N3O4/c16-9-5-8(6-13-9)15-11(19)14-7-12(10(17)18)3-1-2-4-12/h8H,1-7H2,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyJAMCWSVUGWZQHJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.18
Rot. Bonds4

About 1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 114156297) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID114156297
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C1CC(NC(=O)NCC2(C(=O)O)CCCC2)CN1
InChIInChI=1S/C12H19N3O4/c16-9-5-8(6-13-9)15-11(19)14-7-12(10(17)18)3-1-2-4-12/h8H,1-7H2,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyJAMCWSVUGWZQHJ-UHFFFAOYSA-N
XLogP-0.18
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434341
1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)amino]ethyl]cyclohexane-1-carboxylic acid
CID 114155350
1-[2-oxo-2-[(6-oxopiperidin-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 63661531
2-hydroxy-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192133
1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107437337
4-ethyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid
CID 106192114
1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446882
6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 106191828
1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-(6-oxopiperidin-3-yl)urea
CID 71971487
1-amino-3-(5-oxopyrrolidin-3-yl)urea
CID 106197369
1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 95985030
1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446550

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 114156297) is 1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is O=C1CC(NC(=O)NCC2(C(=O)O)CCCC2)CN1.
What is the InChIKey of 1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is JAMCWSVUGWZQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c16-9-5-8(6-13-9)15-11(19)14-7-12(10(17)18)3-1-2-4-12/h8H,1-7H2,(H,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.18, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114156297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).