cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid

C9H12N2O4 — CID 106184637

IUPACcis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)O)CN1
InChIInChI=1S/C9H12N2O4/c12-7-1-4(3-10-7)11-8(13)5-2-6(5)9(14)15/h4-6H,1-3H2,(H,10,12)(H,11,13)(H,14,15)/t4?,5-,6+/m1/s1
InChIKeyRIRSRIHMQZSFQA-UVCATTPVSA-N
MW212.20 g/mol
LogP-1.29
Rot. Bonds3

About cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 106184637) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID106184637
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Namecis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)O)CN1
InChIInChI=1S/C9H12N2O4/c12-7-1-4(3-10-7)11-8(13)5-2-6(5)9(14)15/h4-6H,1-3H2,(H,10,12)(H,11,13)(H,14,15)/t4?,5-,6+/m1/s1
InChIKeyRIRSRIHMQZSFQA-UVCATTPVSA-N
XLogP-1.29
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 130778358
cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106184592
3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114156975
3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106191704
3-amino-2-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 106197966
6-oxo-N-(5-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 104580966
2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 106191753
4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 106197968
1-amino-3-(5-oxopyrrolidin-3-yl)urea
CID 106197369
2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 130684227
2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid
CID 4638930
2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid
CID 106191895

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 106184637) is cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid is O=C1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)O)CN1.
What is the InChIKey of cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is RIRSRIHMQZSFQA-UVCATTPVSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-7-1-4(3-10-7)11-8(13)5-2-6(5)9(14)15/h4-6H,1-3H2,(H,10,12)(H,11,13)(H,14,15)/t4?,5-,6+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of -1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106184637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).