(2S)-N-[(3R)-1-(1-carbamoylcyclopropyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide

C13H20N4O3 — CID 10588823

IUPAC(2S)-N-[(3R)-1-(1-carbamoylcyclopropyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1(N2CC[C@@H](NC(=O)[C@@H]3CCCN3)C2=O)CC1
InChIInChI=1S/C13H20N4O3/c14-12(20)13(4-5-13)17-7-3-9(11(17)19)16-10(18)8-2-1-6-15-8/h8-9,15H,1-7H2,(H2,14,20)(H,16,18)/t8-,9+/m0/s1
InChIKeyJRTMAYKOFUJPQW-DTWKUNHWSA-N
MW280.33 g/mol
LogP-1.53
Rot. Bonds4

About (2S)-N-[(3R)-1-(1-carbamoylcyclopropyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide

(2S)-N-[(3R)-1-(1-carbamoylcyclopropyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide (PubChem CID 10588823) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is (2S)-N-[(3R)-1-(1-carbamoylcyclopropyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3R)-1-(1-carbamoylcyclopropyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
PubChem CID10588823
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name(2S)-N-[(3R)-1-(1-carbamoylcyclopropyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1(N2CC[C@@H](NC(=O)[C@@H]3CCCN3)C2=O)CC1
InChIInChI=1S/C13H20N4O3/c14-12(20)13(4-5-13)17-7-3-9(11(17)19)16-10(18)8-2-1-6-15-8/h8-9,15H,1-7H2,(H2,14,20)(H,16,18)/t8-,9+/m0/s1
InChIKeyJRTMAYKOFUJPQW-DTWKUNHWSA-N
XLogP-1.53
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3R)-1-(1-carbamoylcyclopropyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(3R)-1-(1-carbamoylcyclopropyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide (CID 10588823) is (2S)-N-[(3R)-1-(1-carbamoylcyclopropyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3R)-1-(1-carbamoylcyclopropyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3R)-1-(1-carbamoylcyclopropyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide is NC(=O)C1(N2CC[C@@H](NC(=O)[C@@H]3CCCN3)C2=O)CC1.
What is the InChIKey of (2S)-N-[(3R)-1-(1-carbamoylcyclopropyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is JRTMAYKOFUJPQW-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H20N4O3/c14-12(20)13(4-5-13)17-7-3-9(11(17)19)16-10(18)8-2-1-6-15-8/h8-9,15H,1-7H2,(H2,14,20)(H,16,18)/t8-,9+/m0/s1.
What are the key properties of (2S)-N-[(3R)-1-(1-carbamoylcyclopropyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
(2S)-N-[(3R)-1-(1-carbamoylcyclopropyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3R)-1-(1-carbamoylcyclopropyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10588823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).