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

C15H22N4O4 — CID 54496050

IUPAC(5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-2-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)C2CNCCCN2C(=O)[C@@H]2CCC(=O)N2)N1
InChIInChI=1S/C15H22N4O4/c20-12-4-2-9(17-12)14(22)11-8-16-6-1-7-19(11)15(23)10-3-5-13(21)18-10/h9-11,16H,1-8H2,(H,17,20)(H,18,21)/t9-,10-,11?/m0/s1
InChIKeyXZEQRTUZQWMZHO-QRHSGQBVSA-N
MW322.37 g/mol
LogP-1.70
Rot. Bonds3

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

(5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-2-carbonyl]pyrrolidin-2-one (PubChem CID 54496050) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is (5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-2-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-2-carbonyl]pyrrolidin-2-one
PubChem CID54496050
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name(5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-2-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)C2CNCCCN2C(=O)[C@@H]2CCC(=O)N2)N1
InChIInChI=1S/C15H22N4O4/c20-12-4-2-9(17-12)14(22)11-8-16-6-1-7-19(11)15(23)10-3-5-13(21)18-10/h9-11,16H,1-8H2,(H,17,20)(H,18,21)/t9-,10-,11?/m0/s1
InChIKeyXZEQRTUZQWMZHO-QRHSGQBVSA-N
XLogP-1.70
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

1,6-Bis(5-oxopyrrolidin-2-yl)hexane-1,6-dione
CID 19796153
(5S)-5-[4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 54071378
(5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperazine-2-carbonyl]pyrrolidin-2-one
CID 54163508
2,4-Diamino-1,5-bis(5-oxopyrrolidin-2-yl)pentane-1,5-dione
CID 57285892
5-[1-(5-Oxopyrrolidine-2-carbonyl)piperazine-2-carbonyl]pyrrolidin-2-one
CID 70340011
(2S)-5-oxo-N-[2-oxo-2-[(2S)-2-propanoylpyrrolidin-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 89719552
N-(6-amino-2-oxohexan-3-yl)-2-[[2-[1-(5-aminopentanoyl)pyrrolidin-2-yl]acetyl]amino]-5-oxohexanamide
CID 91395150
[3-[[1-[2-(Methylamino)acetyl]pyrrolidine-2-carbonyl]amino]-4-oxoheptanoyl]azanium
CID 163752003
N-(1-amino-1,4-dioxoheptan-3-yl)-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxamide
CID 163752004
1-(2-aminoacetyl)-N-[(3S)-1-amino-1,4-dioxoheptan-3-yl]pyrrolidine-2-carboxamide
CID 165064552
(2S)-N-[2-[[(3S)-1-amino-1,4-dioxoheptan-3-yl]amino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide
CID 169281316
N-[(3S)-1-amino-1,4-dioxoheptan-3-yl]-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxamide
CID 169281322

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-2-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-2-carbonyl]pyrrolidin-2-one (CID 54496050) is (5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-2-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-2-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-2-carbonyl]pyrrolidin-2-one is O=C1CC[C@@H](C(=O)C2CNCCCN2C(=O)[C@@H]2CCC(=O)N2)N1.
What is the InChIKey of (5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-2-carbonyl]pyrrolidin-2-one?
The InChIKey is XZEQRTUZQWMZHO-QRHSGQBVSA-N. The full InChI is InChI=1S/C15H22N4O4/c20-12-4-2-9(17-12)14(22)11-8-16-6-1-7-19(11)15(23)10-3-5-13(21)18-10/h9-11,16H,1-8H2,(H,17,20)(H,18,21)/t9-,10-,11?/m0/s1.
What are the key properties of (5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-2-carbonyl]pyrrolidin-2-one?
(5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-2-carbonyl]pyrrolidin-2-one has a molecular weight of 322.37 g/mol, XLogP of -1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-2-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 54496050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).