(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propylpyrrolidine-2-carboxamide

C14H25N3O2 — CID 75411523

IUPAC(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN1[C@@H](C(=O)NC)C1CC1
InChIInChI=1S/C14H25N3O2/c1-3-8-16-13(18)11-5-4-9-17(11)12(10-6-7-10)14(19)15-2/h10-12H,3-9H2,1-2H3,(H,15,19)(H,16,18)/t11-,12+/m0/s1
InChIKeyROJPOHHEOQAYKW-NWDGAFQWSA-N
MW267.37 g/mol
LogP0.50
Rot. Bonds6

About (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propylpyrrolidine-2-carboxamide

(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propylpyrrolidine-2-carboxamide (PubChem CID 75411523) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propylpyrrolidine-2-carboxamide
PubChem CID75411523
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN1[C@@H](C(=O)NC)C1CC1
InChIInChI=1S/C14H25N3O2/c1-3-8-16-13(18)11-5-4-9-17(11)12(10-6-7-10)14(19)15-2/h10-12H,3-9H2,1-2H3,(H,15,19)(H,16,18)/t11-,12+/m0/s1
InChIKeyROJPOHHEOQAYKW-NWDGAFQWSA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propylpyrrolidine-2-carboxamide (CID 75411523) is (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propylpyrrolidine-2-carboxamide is CCCNC(=O)[C@@H]1CCCN1[C@@H](C(=O)NC)C1CC1.
What is the InChIKey of (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propylpyrrolidine-2-carboxamide?
The InChIKey is ROJPOHHEOQAYKW-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-8-16-13(18)11-5-4-9-17(11)12(10-6-7-10)14(19)15-2/h10-12H,3-9H2,1-2H3,(H,15,19)(H,16,18)/t11-,12+/m0/s1.
What are the key properties of (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propylpyrrolidine-2-carboxamide?
(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propylpyrrolidine-2-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.50, 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-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 75411523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).