5-oxo-1-(1-propan-2-ylcyclopropyl)pyrrolidine-3-carboxylic acid

C11H17NO3 — CID 83703177

IUPAC5-oxo-1-(1-propan-2-ylcyclopropyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)C1(N2CC(C(=O)O)CC2=O)CC1
InChIInChI=1S/C11H17NO3/c1-7(2)11(3-4-11)12-6-8(10(14)15)5-9(12)13/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyAIOWTIUGAJLKQE-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.11
Rot. Bonds3

About 5-oxo-1-(1-propan-2-ylcyclopropyl)pyrrolidine-3-carboxylic acid

5-oxo-1-(1-propan-2-ylcyclopropyl)pyrrolidine-3-carboxylic acid (PubChem CID 83703177) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-oxo-1-(1-propan-2-ylcyclopropyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(1-propan-2-ylcyclopropyl)pyrrolidine-3-carboxylic acid
PubChem CID83703177
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name5-oxo-1-(1-propan-2-ylcyclopropyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)C1(N2CC(C(=O)O)CC2=O)CC1
InChIInChI=1S/C11H17NO3/c1-7(2)11(3-4-11)12-6-8(10(14)15)5-9(12)13/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyAIOWTIUGAJLKQE-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691308
5-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxylic acid
CID 106209145
1-(1-cyanocyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691307
1-[(2S)-3-chlorobutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 147481828
1-butan-2-yl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950
1-hydroxy-5-oxopyrrolidine-3-carboxylic acid
CID 55300200
1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 61469101
1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690219
(3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 735283
1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 70114955
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
1-[1-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690179

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1-propan-2-ylcyclopropyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(1-propan-2-ylcyclopropyl)pyrrolidine-3-carboxylic acid (CID 83703177) is 5-oxo-1-(1-propan-2-ylcyclopropyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(1-propan-2-ylcyclopropyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(1-propan-2-ylcyclopropyl)pyrrolidine-3-carboxylic acid is CC(C)C1(N2CC(C(=O)O)CC2=O)CC1.
What is the InChIKey of 5-oxo-1-(1-propan-2-ylcyclopropyl)pyrrolidine-3-carboxylic acid?
The InChIKey is AIOWTIUGAJLKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7(2)11(3-4-11)12-6-8(10(14)15)5-9(12)13/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 5-oxo-1-(1-propan-2-ylcyclopropyl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(1-propan-2-ylcyclopropyl)pyrrolidine-3-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1-propan-2-ylcyclopropyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83703177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).