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

C16H26N4O3 — CID 10663628

IUPAC(2S)-N-[(3R)-1-(1-carbamoylcyclohexyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1(N2CC[C@@H](NC(=O)[C@@H]3CCCN3)C2=O)CCCCC1
InChIInChI=1S/C16H26N4O3/c17-15(23)16(7-2-1-3-8-16)20-10-6-12(14(20)22)19-13(21)11-5-4-9-18-11/h11-12,18H,1-10H2,(H2,17,23)(H,19,21)/t11-,12+/m0/s1
InChIKeyPIFOENZSFKJMND-NWDGAFQWSA-N
MW322.41 g/mol
LogP-0.36
Rot. Bonds4

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

(2S)-N-[(3R)-1-(1-carbamoylcyclohexyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide (PubChem CID 10663628) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S)-N-[(3R)-1-(1-carbamoylcyclohexyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3R)-1-(1-carbamoylcyclohexyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
PubChem CID10663628
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name(2S)-N-[(3R)-1-(1-carbamoylcyclohexyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1(N2CC[C@@H](NC(=O)[C@@H]3CCCN3)C2=O)CCCCC1
InChIInChI=1S/C16H26N4O3/c17-15(23)16(7-2-1-3-8-16)20-10-6-12(14(20)22)19-13(21)11-5-4-9-18-11/h11-12,18H,1-10H2,(H2,17,23)(H,19,21)/t11-,12+/m0/s1
InChIKeyPIFOENZSFKJMND-NWDGAFQWSA-N
XLogP-0.36
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.36
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-carbamoylcyclohexyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(3R)-1-(1-carbamoylcyclohexyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide (CID 10663628) is (2S)-N-[(3R)-1-(1-carbamoylcyclohexyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3R)-1-(1-carbamoylcyclohexyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3R)-1-(1-carbamoylcyclohexyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide is NC(=O)C1(N2CC[C@@H](NC(=O)[C@@H]3CCCN3)C2=O)CCCCC1.
What is the InChIKey of (2S)-N-[(3R)-1-(1-carbamoylcyclohexyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is PIFOENZSFKJMND-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H26N4O3/c17-15(23)16(7-2-1-3-8-16)20-10-6-12(14(20)22)19-13(21)11-5-4-9-18-11/h11-12,18H,1-10H2,(H2,17,23)(H,19,21)/t11-,12+/m0/s1.
What are the key properties of (2S)-N-[(3R)-1-(1-carbamoylcyclohexyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
(2S)-N-[(3R)-1-(1-carbamoylcyclohexyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of -0.36, 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-carbamoylcyclohexyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10663628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).