(5S)-5-[4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one

C15H22N4O4 — CID 54071378

IUPAC(5S)-5-[4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)N1
InChIInChI=1S/C15H22N4O4/c20-12-4-2-10(16-12)14(22)18-6-1-7-19(9-8-18)15(23)11-3-5-13(21)17-11/h10-11H,1-9H2,(H,16,20)(H,17,21)/t10-,11-/m0/s1
InChIKeyMGRVVAIQZCCBLW-QWRGUYRKSA-N
MW322.37 g/mol
LogP-1.40
Rot. Bonds2

About (5S)-5-[4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one

(5S)-5-[4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one (PubChem CID 54071378) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is (5S)-5-[4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
PubChem CID54071378
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name(5S)-5-[4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)N1
InChIInChI=1S/C15H22N4O4/c20-12-4-2-10(16-12)14(22)18-6-1-7-19(9-8-18)15(23)11-3-5-13(21)17-11/h10-11H,1-9H2,(H,16,20)(H,17,21)/t10-,11-/m0/s1
InChIKeyMGRVVAIQZCCBLW-QWRGUYRKSA-N
XLogP-1.40
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-5-[4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

(S)-pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 13578534
(S)-1-((2S,4S)-4-Amino-pyrrolidine-2-carbonyl)-pyrrolidine-2-carbonitrile
CID 44400588
thyrotropin-releasing hormone, nVal(2)-
CID 132489
(3R)-2-Oxo-3-[[(2S)-2-Pyrrolidinylcarbonyl]amino]-1-pyrrolidineacetamide
CID 44281634
(2R)-1-(2-(N-methyl-5-oxopyrrolidine-2-carboxamido)acetyl)pyrrolidin-2-ylboronic acid
CID 44418246
5-Oxo-L-prolyl-L-leucyl-L-prolinamide
CID 191115
1-cyclohexyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)prolinamide
CID 3236163
5-Oxo-L-prolyl-D-leucyl-L-prolinamide
CID 13312501
5-Oxo-L-prolyl-L-leucyl-D-prolinamide
CID 13312502
5-Oxo-D-prolyl-L-leucyl-L-prolinamide
CID 13312503
Glp-Nle-Pro-NH2
CID 13312505
Glp-Abu-Pro-NH2
CID 13312515

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one (CID 54071378) is (5S)-5-[4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one is O=C1CC[C@@H](C(=O)N2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)N1.
What is the InChIKey of (5S)-5-[4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one?
The InChIKey is MGRVVAIQZCCBLW-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H22N4O4/c20-12-4-2-10(16-12)14(22)18-6-1-7-19(9-8-18)15(23)11-3-5-13(21)17-11/h10-11H,1-9H2,(H,16,20)(H,17,21)/t10-,11-/m0/s1.
What are the key properties of (5S)-5-[4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one?
(5S)-5-[4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one has a molecular weight of 322.37 g/mol, XLogP of -1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 54071378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).