(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide

C17H29N3O2 — CID 75529643

IUPAC(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCNC(=O)[C@@H]1CCCN1[C@@H](C(=O)NC)C1CCCCC1
InChIInChI=1S/C17H29N3O2/c1-3-11-19-16(21)14-10-7-12-20(14)15(17(22)18-2)13-8-5-4-6-9-13/h3,13-15H,1,4-12H2,2H3,(H,18,22)(H,19,21)/t14-,15+/m0/s1
InChIKeyVYXKAJLRFVJXDC-LSDHHAIUSA-N
MW307.44 g/mol
LogP1.45
Rot. Bonds6

About (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide

(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide (PubChem CID 75529643) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide
PubChem CID75529643
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCNC(=O)[C@@H]1CCCN1[C@@H](C(=O)NC)C1CCCCC1
InChIInChI=1S/C17H29N3O2/c1-3-11-19-16(21)14-10-7-12-20(14)15(17(22)18-2)13-8-5-4-6-9-13/h3,13-15H,1,4-12H2,2H3,(H,18,22)(H,19,21)/t14-,15+/m0/s1
InChIKeyVYXKAJLRFVJXDC-LSDHHAIUSA-N
XLogP1.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide (CID 75529643) is (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide is C=CCNC(=O)[C@@H]1CCCN1[C@@H](C(=O)NC)C1CCCCC1.
What is the InChIKey of (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide?
The InChIKey is VYXKAJLRFVJXDC-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-3-11-19-16(21)14-10-7-12-20(14)15(17(22)18-2)13-8-5-4-6-9-13/h3,13-15H,1,4-12H2,2H3,(H,18,22)(H,19,21)/t14-,15+/m0/s1.
What are the key properties of (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide?
(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide is sourced from PubChem (CID 75529643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).