(3S)-1-cyclopropyl-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C15H22N4O2 — CID 97119665

IUPAC(3S)-1-cyclopropyl-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nccn1CCNC(=O)[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C15H22N4O2/c1-2-13-16-5-7-18(13)8-6-17-15(21)11-9-14(20)19(10-11)12-3-4-12/h5,7,11-12H,2-4,6,8-10H2,1H3,(H,17,21)/t11-/m0/s1
InChIKeyMHKRAQFVWPGRCA-NSHDSACASA-N
MW290.37 g/mol
LogP0.57
Rot. Bonds6

About (3S)-1-cyclopropyl-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-cyclopropyl-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97119665) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97119665
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(3S)-1-cyclopropyl-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nccn1CCNC(=O)[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C15H22N4O2/c1-2-13-16-5-7-18(13)8-6-17-15(21)11-9-14(20)19(10-11)12-3-4-12/h5,7,11-12H,2-4,6,8-10H2,1H3,(H,17,21)/t11-/m0/s1
InChIKeyMHKRAQFVWPGRCA-NSHDSACASA-N
XLogP0.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 91777093
(3S)-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97269177
1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154888279
1-cyclopropyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-oxopyrrolidine-3-carboxamide
CID 50984090
(3S)-1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 94617423
(3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide
CID 97126904
(3R)-1-cyclopropyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 94353199
1-cyclopropyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 49356774
1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70772226
1-cyclopropyl-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70723259
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
(4S)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 97114697

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopropyl-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 97119665) is (3S)-1-cyclopropyl-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopropyl-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopropyl-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCc1nccn1CCNC(=O)[C@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (3S)-1-cyclopropyl-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MHKRAQFVWPGRCA-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-13-16-5-7-18(13)8-6-17-15(21)11-9-14(20)19(10-11)12-3-4-12/h5,7,11-12H,2-4,6,8-10H2,1H3,(H,17,21)/t11-/m0/s1.
What are the key properties of (3S)-1-cyclopropyl-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-cyclopropyl-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropyl-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97119665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).