(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide

C12H20N2O2 — CID 142833452

IUPAC(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCC[C@H]1C(=O)NC1CC1
InChIInChI=1S/C12H20N2O2/c1-2-4-11(15)14-8-3-5-10(14)12(16)13-9-6-7-9/h9-10H,2-8H2,1H3,(H,13,16)/t10-/m0/s1
InChIKeyGYFVRLLDGMHLJK-JTQLQIEISA-N
MW224.30 g/mol
LogP1.06
Rot. Bonds4

About (2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide

(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 142833452) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID142833452
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCC[C@H]1C(=O)NC1CC1
InChIInChI=1S/C12H20N2O2/c1-2-4-11(15)14-8-3-5-10(14)12(16)13-9-6-7-9/h9-10H,2-8H2,1H3,(H,13,16)/t10-/m0/s1
InChIKeyGYFVRLLDGMHLJK-JTQLQIEISA-N
XLogP1.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 60733576
1-(3-aminopropanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60939858
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 54875325
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
(2S)-N-(4-benzamidocyclohexyl)-1-octanoylpyrrolidine-2-carboxamide
CID 51071438
N-cyclopropyl-1-(3-piperidin-2-ylpropanoyl)pyrrolidine-2-carboxamide
CID 62212477
N-cyclopropyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-2-carboxamide
CID 61029481
N-cyclopropyl-1-[2-[(1R,2S)-2-hydroxycyclohexyl]acetyl]pyrrolidine-2-carboxamide
CID 122139792
2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate
CID 6545801
(2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833402
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007

Frequently Asked Questions

What is the IUPAC name of (2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide (CID 142833452) is (2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide is CCCC(=O)N1CCC[C@H]1C(=O)NC1CC1.
What is the InChIKey of (2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is GYFVRLLDGMHLJK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-4-11(15)14-8-3-5-10(14)12(16)13-9-6-7-9/h9-10H,2-8H2,1H3,(H,13,16)/t10-/m0/s1.
What are the key properties of (2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide?
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 142833452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).