(2S)-1-[3-(5-oxopyrrolidin-2-yl)propanoyl]pyrrolidine-2-carboxamide

C12H19N3O3 — CID 18598477

IUPAC(2S)-1-[3-(5-oxopyrrolidin-2-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)CCC1CCC(=O)N1
InChIInChI=1S/C12H19N3O3/c13-12(18)9-2-1-7-15(9)11(17)6-4-8-3-5-10(16)14-8/h8-9H,1-7H2,(H2,13,18)(H,14,16)/t8?,9-/m0/s1
InChIKeyPPQCQPZGBRKTDQ-GKAPJAKFSA-N
MW253.30 g/mol
LogP-0.48
Rot. Bonds4

About (2S)-1-[3-(5-oxopyrrolidin-2-yl)propanoyl]pyrrolidine-2-carboxamide

(2S)-1-[3-(5-oxopyrrolidin-2-yl)propanoyl]pyrrolidine-2-carboxamide (PubChem CID 18598477) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2S)-1-[3-(5-oxopyrrolidin-2-yl)propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-(5-oxopyrrolidin-2-yl)propanoyl]pyrrolidine-2-carboxamide
PubChem CID18598477
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name(2S)-1-[3-(5-oxopyrrolidin-2-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)CCC1CCC(=O)N1
InChIInChI=1S/C12H19N3O3/c13-12(18)9-2-1-7-15(9)11(17)6-4-8-3-5-10(16)14-8/h8-9H,1-7H2,(H2,13,18)(H,14,16)/t8?,9-/m0/s1
InChIKeyPPQCQPZGBRKTDQ-GKAPJAKFSA-N
XLogP-0.48
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2R)-2-(Dihydroxyboryl)-1-L-prolylpyrrolidin-2-YL]-N-[(5R)-5-(dihydroxyboryl)-1-L-prolylpyrrolidin-2-YL]-L-prolinamide
CID 10198228
(2S)-1-{[(2S,5R)-5-ethylpyrrolidin-2-yl]carbonyl}pyrrolidine-2-carbonitrile
CID 11500939
(2S)-aminobutyryl-L-proline n-butylamide
CID 11514390
(2S)-aminobutyryl-L-proline n-pentylamide
CID 11615987
(2S)-aminobutyryl-L-proline n-propylamide
CID 11637307
(2S)-1-{[(2S,5S)-5-ethylpyrrolidin-2-yl]carbonyl}pyrrolidine-2-carbonitrile
CID 11638575
L-norleucyl-L-prolinamide
CID 11615534
(S)-pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 13578534
3-Fluoro-1-(pyrrolidine-2-carbonyl)pyrrolidine
CID 69997351
(2S)-1-[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 10066121
(2R)-1-[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 10403018
thyrotropin-releasing hormone, nVal(2)-
CID 132489

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(5-oxopyrrolidin-2-yl)propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[3-(5-oxopyrrolidin-2-yl)propanoyl]pyrrolidine-2-carboxamide (CID 18598477) is (2S)-1-[3-(5-oxopyrrolidin-2-yl)propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-(5-oxopyrrolidin-2-yl)propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[3-(5-oxopyrrolidin-2-yl)propanoyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C(=O)CCC1CCC(=O)N1.
What is the InChIKey of (2S)-1-[3-(5-oxopyrrolidin-2-yl)propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is PPQCQPZGBRKTDQ-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H19N3O3/c13-12(18)9-2-1-7-15(9)11(17)6-4-8-3-5-10(16)14-8/h8-9H,1-7H2,(H2,13,18)(H,14,16)/t8?,9-/m0/s1.
What are the key properties of (2S)-1-[3-(5-oxopyrrolidin-2-yl)propanoyl]pyrrolidine-2-carboxamide?
(2S)-1-[3-(5-oxopyrrolidin-2-yl)propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 253.30 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(5-oxopyrrolidin-2-yl)propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 18598477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).