1-(2-oxobutyl)pyrrolidine-2-carboxylic acid

C9H15NO3 — CID 82406232

IUPAC1-(2-oxobutyl)pyrrolidine-2-carboxylic acid
SMILESCCC(=O)CN1CCCC1C(=O)O
InChIInChI=1S/C9H15NO3/c1-2-7(11)6-10-5-3-4-8(10)9(12)13/h8H,2-6H2,1H3,(H,12,13)
InChIKeyRDOZHOKZNBLNOL-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.51
Rot. Bonds4

About 1-(2-oxobutyl)pyrrolidine-2-carboxylic acid

1-(2-oxobutyl)pyrrolidine-2-carboxylic acid (PubChem CID 82406232) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(2-oxobutyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxobutyl)pyrrolidine-2-carboxylic acid
PubChem CID82406232
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-(2-oxobutyl)pyrrolidine-2-carboxylic acid
SMILESCCC(=O)CN1CCCC1C(=O)O
InChIInChI=1S/C9H15NO3/c1-2-7(11)6-10-5-3-4-8(10)9(12)13/h8H,2-6H2,1H3,(H,12,13)
InChIKeyRDOZHOKZNBLNOL-UHFFFAOYSA-N
XLogP0.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
CID 66737893
CID 66737893
(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid
CID 57122490
(2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid
CID 142681934
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909272
(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane
CID 160932725
1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid
CID 13396240
1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 22717280
1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441021
1-nonylpyrrolidine-2-carboxylic acid
CID 43441741
(2S)-1-[2-(azepan-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910511

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxobutyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-oxobutyl)pyrrolidine-2-carboxylic acid (CID 82406232) is 1-(2-oxobutyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-oxobutyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-oxobutyl)pyrrolidine-2-carboxylic acid is CCC(=O)CN1CCCC1C(=O)O.
What is the InChIKey of 1-(2-oxobutyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RDOZHOKZNBLNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-7(11)6-10-5-3-4-8(10)9(12)13/h8H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-(2-oxobutyl)pyrrolidine-2-carboxylic acid?
1-(2-oxobutyl)pyrrolidine-2-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxobutyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82406232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).