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

C14H25N3O2 — CID 75529692

IUPAC(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)NC(C)C
InChIInChI=1S/C14H25N3O2/c1-9(2)16-13(18)11-5-4-8-17(11)12(10-6-7-10)14(19)15-3/h9-12H,4-8H2,1-3H3,(H,15,19)(H,16,18)/t11-,12+/m0/s1
InChIKeyDHNYLVZZRLRMSQ-NWDGAFQWSA-N
MW267.37 g/mol
LogP0.50
Rot. Bonds5

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

(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 75529692) 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-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID75529692
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)NC(C)C
InChIInChI=1S/C14H25N3O2/c1-9(2)16-13(18)11-5-4-8-17(11)12(10-6-7-10)14(19)15-3/h9-12H,4-8H2,1-3H3,(H,15,19)(H,16,18)/t11-,12+/m0/s1
InChIKeyDHNYLVZZRLRMSQ-NWDGAFQWSA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

(2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 75529695
N-benzyl-1-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 163049279
(2S)-N-benzyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 75529687
N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide
CID 21355300
(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 75529697
(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide;dihydrochloride
CID 127023412
(2S)-1-tert-butyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 58492314
1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 79408269
(2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 14607704
methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen
CID 169160570
1-(2,2-dimethylpropanoyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 71328856
1-(1-hydrazinyl-1-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 63577874

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 75529692) is (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propan-2-ylpyrrolidine-2-carboxamide is CNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)NC(C)C.
What is the InChIKey of (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is DHNYLVZZRLRMSQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-9(2)16-13(18)11-5-4-8-17(11)12(10-6-7-10)14(19)15-3/h9-12H,4-8H2,1-3H3,(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-propan-2-ylpyrrolidine-2-carboxamide?
(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.50, 5 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-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 75529692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).