(2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide

C16H24N2O3S — CID 96567072

IUPAC(2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCC[C@@H]1C(=O)NC[C@@](C)(O)c1ccsc1
InChIInChI=1S/C16H24N2O3S/c1-3-5-14(19)18-8-4-6-13(18)15(20)17-11-16(2,21)12-7-9-22-10-12/h7,9-10,13,21H,3-6,8,11H2,1-2H3,(H,17,20)/t13-,16-/m1/s1
InChIKeyZRLCCIQOMVDBJO-CZUORRHYSA-N
MW324.45 g/mol
LogP1.86
Rot. Bonds6

About (2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide

(2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide (PubChem CID 96567072) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide
PubChem CID96567072
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCC[C@@H]1C(=O)NC[C@@](C)(O)c1ccsc1
InChIInChI=1S/C16H24N2O3S/c1-3-5-14(19)18-8-4-6-13(18)15(20)17-11-16(2,21)12-7-9-22-10-12/h7,9-10,13,21H,3-6,8,11H2,1-2H3,(H,17,20)/t13-,16-/m1/s1
InChIKeyZRLCCIQOMVDBJO-CZUORRHYSA-N
XLogP1.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452313
2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide
CID 71979797
N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide
CID 109477004
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol
CID 115907531
1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 60531568
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452
1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol
CID 111755705
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-pentylurea
CID 111450359
1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide
CID 111335036
(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
CID 110286101

Frequently Asked Questions

What is the IUPAC name of (2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide (CID 96567072) is (2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide is CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@@](C)(O)c1ccsc1.
What is the InChIKey of (2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide?
The InChIKey is ZRLCCIQOMVDBJO-CZUORRHYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-5-14(19)18-8-4-6-13(18)15(20)17-11-16(2,21)12-7-9-22-10-12/h7,9-10,13,21H,3-6,8,11H2,1-2H3,(H,17,20)/t13-,16-/m1/s1.
What are the key properties of (2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide?
(2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 96567072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).