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

C15H24N4O3 — CID 10495027

IUPAC(2S)-N-[(3R)-1-(1-carbamoylcyclopentyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1(N2CC[C@@H](NC(=O)[C@@H]3CCCN3)C2=O)CCCC1
InChIInChI=1S/C15H24N4O3/c16-14(22)15(6-1-2-7-15)19-9-5-11(13(19)21)18-12(20)10-4-3-8-17-10/h10-11,17H,1-9H2,(H2,16,22)(H,18,20)/t10-,11+/m0/s1
InChIKeyISTKSIDPQZPMQX-WDEREUQCSA-N
MW308.38 g/mol
LogP-0.75
Rot. Bonds4

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

(2S)-N-[(3R)-1-(1-carbamoylcyclopentyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide (PubChem CID 10495027) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2S)-N-[(3R)-1-(1-carbamoylcyclopentyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3R)-1-(1-carbamoylcyclopentyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
PubChem CID10495027
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name(2S)-N-[(3R)-1-(1-carbamoylcyclopentyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1(N2CC[C@@H](NC(=O)[C@@H]3CCCN3)C2=O)CCCC1
InChIInChI=1S/C15H24N4O3/c16-14(22)15(6-1-2-7-15)19-9-5-11(13(19)21)18-12(20)10-4-3-8-17-10/h10-11,17H,1-9H2,(H2,16,22)(H,18,20)/t10-,11+/m0/s1
InChIKeyISTKSIDPQZPMQX-WDEREUQCSA-N
XLogP-0.75
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.75
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-carbamoylcyclopentyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(3R)-1-(1-carbamoylcyclopentyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide (CID 10495027) is (2S)-N-[(3R)-1-(1-carbamoylcyclopentyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3R)-1-(1-carbamoylcyclopentyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3R)-1-(1-carbamoylcyclopentyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide is NC(=O)C1(N2CC[C@@H](NC(=O)[C@@H]3CCCN3)C2=O)CCCC1.
What is the InChIKey of (2S)-N-[(3R)-1-(1-carbamoylcyclopentyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is ISTKSIDPQZPMQX-WDEREUQCSA-N. The full InChI is InChI=1S/C15H24N4O3/c16-14(22)15(6-1-2-7-15)19-9-5-11(13(19)21)18-12(20)10-4-3-8-17-10/h10-11,17H,1-9H2,(H2,16,22)(H,18,20)/t10-,11+/m0/s1.
What are the key properties of (2S)-N-[(3R)-1-(1-carbamoylcyclopentyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
(2S)-N-[(3R)-1-(1-carbamoylcyclopentyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of -0.75, 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-carbamoylcyclopentyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10495027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).