(2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid

C9H13NO3 — CID 67462914

IUPAC(2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(=O)N1C1CCC1
InChIInChI=1S/C9H13NO3/c11-8-5-4-7(9(12)13)10(8)6-2-1-3-6/h6-7H,1-5H2,(H,12,13)/t7-/m0/s1
InChIKeyKCFUQJRTNITSOV-ZETCQYMHSA-N
MW183.21 g/mol
LogP0.61
Rot. Bonds2

About (2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid

(2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 67462914) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid
PubChem CID67462914
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(=O)N1C1CCC1
InChIInChI=1S/C9H13NO3/c11-8-5-4-7(9(12)13)10(8)6-2-1-3-6/h6-7H,1-5H2,(H,12,13)/t7-/m0/s1
InChIKeyKCFUQJRTNITSOV-ZETCQYMHSA-N
XLogP0.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-cyclopentyl-5-oxopyrrolidine-2-carboxylic acid
CID 67459886
(3S,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxylic acid
CID 45082702
1-cyclopentyl-N-cyclopropyl-5-oxopyrrolidine-2-carboxamide
CID 3237546
3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine-5-carboxylic acid
CID 105440994
5-oxo-1-sulfopyrrolidine-2-carboxylic acid
CID 174466730
(3S,9S,10aR)-9-ethyl-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxylic acid
CID 170036655
tetrakis((2R)-1-methyl-5-oxopyrrolidine-2-carboxylic acid);bis(rhodium)
CID 11297246
1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002576
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
(2S,4R,8S)-1-azatricyclo[6.3.0.02,4]undecan-11-one
CID 102300255
(2S)-5-oxo-1-piperidin-4-yl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 99727906
methyl (3S,11aS)-5-oxo-1,2,3,6,7,8,9,10,11,11a-decahydropyrrolo[1,2-a]azonine-3-carboxylate
CID 168982403

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid (CID 67462914) is (2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCC(=O)N1C1CCC1.
What is the InChIKey of (2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is KCFUQJRTNITSOV-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13NO3/c11-8-5-4-7(9(12)13)10(8)6-2-1-3-6/h6-7H,1-5H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid?
(2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67462914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).