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

C15H26N4O3 — CID 10542995

IUPAC(2S)-N-[(3R)-1-(3-carbamoylpentan-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESCCC(CC)(C(N)=O)N1CC[C@@H](NC(=O)[C@@H]2CCCN2)C1=O
InChIInChI=1S/C15H26N4O3/c1-3-15(4-2,14(16)22)19-9-7-11(13(19)21)18-12(20)10-6-5-8-17-10/h10-11,17H,3-9H2,1-2H3,(H2,16,22)(H,18,20)/t10-,11+/m0/s1
InChIKeyGUSJQLVCJKGOMK-WDEREUQCSA-N
MW310.40 g/mol
LogP-0.50
Rot. Bonds6

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

(2S)-N-[(3R)-1-(3-carbamoylpentan-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide (PubChem CID 10542995) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2S)-N-[(3R)-1-(3-carbamoylpentan-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3R)-1-(3-carbamoylpentan-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
PubChem CID10542995
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name(2S)-N-[(3R)-1-(3-carbamoylpentan-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESCCC(CC)(C(N)=O)N1CC[C@@H](NC(=O)[C@@H]2CCCN2)C1=O
InChIInChI=1S/C15H26N4O3/c1-3-15(4-2,14(16)22)19-9-7-11(13(19)21)18-12(20)10-6-5-8-17-10/h10-11,17H,3-9H2,1-2H3,(H2,16,22)(H,18,20)/t10-,11+/m0/s1
InChIKeyGUSJQLVCJKGOMK-WDEREUQCSA-N
XLogP-0.50
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 5-0.50
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-(3-carbamoylpentan-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(3R)-1-(3-carbamoylpentan-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide (CID 10542995) is (2S)-N-[(3R)-1-(3-carbamoylpentan-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3R)-1-(3-carbamoylpentan-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3R)-1-(3-carbamoylpentan-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide is CCC(CC)(C(N)=O)N1CC[C@@H](NC(=O)[C@@H]2CCCN2)C1=O.
What is the InChIKey of (2S)-N-[(3R)-1-(3-carbamoylpentan-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is GUSJQLVCJKGOMK-WDEREUQCSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-3-15(4-2,14(16)22)19-9-7-11(13(19)21)18-12(20)10-6-5-8-17-10/h10-11,17H,3-9H2,1-2H3,(H2,16,22)(H,18,20)/t10-,11+/m0/s1.
What are the key properties of (2S)-N-[(3R)-1-(3-carbamoylpentan-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
(2S)-N-[(3R)-1-(3-carbamoylpentan-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3R)-1-(3-carbamoylpentan-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10542995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).