1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid

C12H17NO5 — CID 168691308

IUPAC1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(C2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C12H17NO5/c14-9-6-8(10(15)16)7-13(9)12(11(17)18)4-2-1-3-5-12/h8H,1-7H2,(H,15,16)(H,17,18)
InChIKeyYMJWQQCHUZIAAT-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.71
Rot. Bonds3

About 1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid

1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168691308) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168691308
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(C2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C12H17NO5/c14-9-6-8(10(15)16)7-13(9)12(11(17)18)4-2-1-3-5-12/h8H,1-7H2,(H,15,16)(H,17,18)
InChIKeyYMJWQQCHUZIAAT-UHFFFAOYSA-N
XLogP0.71
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid
CID 168662973
1-(1-cyanocyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691307
1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid
CID 168709235
5-oxo-1-(1-propan-2-ylcyclopropyl)pyrrolidine-3-carboxylic acid
CID 83703177
1-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid
CID 168657093
5-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxylic acid
CID 106209145
1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopropane-1-carboxylic acid
CID 168662970
1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid
CID 168714744
1-hydroxy-5-oxopyrrolidine-3-carboxylic acid
CID 55300200
4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 168692885
(3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid
CID 29136485
methyl 1-(1-cyanocyclohexyl)-5-oxopyrrolidine-3-carboxylate
CID 168694060

Frequently Asked Questions

What is the IUPAC name of 1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid (CID 168691308) is 1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(C2(C(=O)O)CCCCC2)C1.
What is the InChIKey of 1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is YMJWQQCHUZIAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c14-9-6-8(10(15)16)7-13(9)12(11(17)18)4-2-1-3-5-12/h8H,1-7H2,(H,15,16)(H,17,18).
What are the key properties of 1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168691308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).