(2S)-1-butanoyl-N-[(1R,2S)-2-[(Z)-pent-1-enyl]cyclopropyl]pyrrolidine-2-carboxamide

C17H28N2O2 — CID 70296506

IUPAC(2S)-1-butanoyl-N-[(1R,2S)-2-[(Z)-pent-1-enyl]cyclopropyl]pyrrolidine-2-carboxamide
SMILESCCC/C=C\[C@@H]1C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)CCC
InChIInChI=1S/C17H28N2O2/c1-3-5-6-9-13-12-14(13)18-17(21)15-10-7-11-19(15)16(20)8-4-2/h6,9,13-15H,3-5,7-8,10-12H2,1-2H3,(H,18,21)/b9-6-/t13-,14-,15+/m1/s1
InChIKeyOIBSDLJFGUMURO-QEFWPAOCSA-N
MW292.42 g/mol
LogP2.64
Rot. Bonds7

About (2S)-1-butanoyl-N-[(1R,2S)-2-[(Z)-pent-1-enyl]cyclopropyl]pyrrolidine-2-carboxamide

(2S)-1-butanoyl-N-[(1R,2S)-2-[(Z)-pent-1-enyl]cyclopropyl]pyrrolidine-2-carboxamide (PubChem CID 70296506) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (2S)-1-butanoyl-N-[(1R,2S)-2-[(Z)-pent-1-enyl]cyclopropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-butanoyl-N-[(1R,2S)-2-[(Z)-pent-1-enyl]cyclopropyl]pyrrolidine-2-carboxamide
PubChem CID70296506
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(2S)-1-butanoyl-N-[(1R,2S)-2-[(Z)-pent-1-enyl]cyclopropyl]pyrrolidine-2-carboxamide
SMILESCCC/C=C\[C@@H]1C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)CCC
InChIInChI=1S/C17H28N2O2/c1-3-5-6-9-13-12-14(13)18-17(21)15-10-7-11-19(15)16(20)8-4-2/h6,9,13-15H,3-5,7-8,10-12H2,1-2H3,(H,18,21)/b9-6-/t13-,14-,15+/m1/s1
InChIKeyOIBSDLJFGUMURO-QEFWPAOCSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-8-amino-2-methyl-8-oxooct-5-en-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 44386090
(2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]-2,5-dihydropyrrole-2-carboxamide
CID 73354462
(2R)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]-2,5-dihydropyrrole-2-carboxamide
CID 73354463
1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
CID 5459652
(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(2S)-4,4-difluoro-1-(3-methylbutylamino)-1-oxobutan-2-yl]-4-[(E)-3-methylbut-1-enyl]pyrrolidine-2-carboxamide
CID 143012140
(2R)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide
CID 92548251
(2R)-2-[[(2S)-1-[2-[(2-cyclopropylacetyl)amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylpent-4-enoyl fluoride
CID 142833416
N-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide
CID 143101764
(6S,7Z)-11,11-difluoro-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-2,15-dione
CID 143402742
N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170581837
N-[(2E,4E,6Z)-2,5-bis(ethenyl)-6-methylocta-2,4,6-trienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 170703778
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 4100367

Frequently Asked Questions

What is the IUPAC name of (2S)-1-butanoyl-N-[(1R,2S)-2-[(Z)-pent-1-enyl]cyclopropyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-butanoyl-N-[(1R,2S)-2-[(Z)-pent-1-enyl]cyclopropyl]pyrrolidine-2-carboxamide (CID 70296506) is (2S)-1-butanoyl-N-[(1R,2S)-2-[(Z)-pent-1-enyl]cyclopropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-butanoyl-N-[(1R,2S)-2-[(Z)-pent-1-enyl]cyclopropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-butanoyl-N-[(1R,2S)-2-[(Z)-pent-1-enyl]cyclopropyl]pyrrolidine-2-carboxamide is CCC/C=C\[C@@H]1C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)CCC.
What is the InChIKey of (2S)-1-butanoyl-N-[(1R,2S)-2-[(Z)-pent-1-enyl]cyclopropyl]pyrrolidine-2-carboxamide?
The InChIKey is OIBSDLJFGUMURO-QEFWPAOCSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-5-6-9-13-12-14(13)18-17(21)15-10-7-11-19(15)16(20)8-4-2/h6,9,13-15H,3-5,7-8,10-12H2,1-2H3,(H,18,21)/b9-6-/t13-,14-,15+/m1/s1.
What are the key properties of (2S)-1-butanoyl-N-[(1R,2S)-2-[(Z)-pent-1-enyl]cyclopropyl]pyrrolidine-2-carboxamide?
(2S)-1-butanoyl-N-[(1R,2S)-2-[(Z)-pent-1-enyl]cyclopropyl]pyrrolidine-2-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-butanoyl-N-[(1R,2S)-2-[(Z)-pent-1-enyl]cyclopropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 70296506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).