(2S)-1-[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidine-2-carbonyl]pyrrolidine-2-carboxamide

C16H24N4O4 — CID 134138041

IUPAC(2S)-1-[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C16H24N4O4/c17-14(22)11-5-3-9-19(11)16(24)12-4-1-2-8-20(12)15(23)10-6-7-13(21)18-10/h10-12H,1-9H2,(H2,17,22)(H,18,21)/t10-,11-,12-/m0/s1
InChIKeyFEBNRYQDLLSKAN-SRVKXCTJSA-N
MW336.39 g/mol
LogP-0.88
Rot. Bonds3

About (2S)-1-[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidine-2-carbonyl]pyrrolidine-2-carboxamide

(2S)-1-[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidine-2-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 134138041) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2S)-1-[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidine-2-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidine-2-carbonyl]pyrrolidine-2-carboxamide
PubChem CID134138041
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name(2S)-1-[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C16H24N4O4/c17-14(22)11-5-3-9-19(11)16(24)12-4-1-2-8-20(12)15(23)10-6-7-13(21)18-10/h10-12H,1-9H2,(H2,17,22)(H,18,21)/t10-,11-,12-/m0/s1
InChIKeyFEBNRYQDLLSKAN-SRVKXCTJSA-N
XLogP-0.88
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 198695
2-[(3R)-3-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxopyrrolidin-1-yl]acetamide
CID 10108491
5-Oxo-L-prolyl-3-cyclohexyl-L-alanyl-L-prolinamide
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5-(Piperidine-1-carbonyl)pyrrolidin-2-one
CID 3042287
(3R)-2-Oxo-3-[[(2S)-2-Pyrrolidinylcarbonyl]amino]-1-pyrrolidineacetamide
CID 44281634
5-Oxo-L-prolyl-L-leucyl-L-prolinamide
CID 191115
2-Pyrrolidinecarboxamide, N-(4-(2,6-dimethyl-1-piperidinyl)-2-butynyl)-5-oxo-, (S)-
CID 338466
1-cyclohexyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)prolinamide
CID 3236163
1-cyclohexyl-N-cyclopentyl-5-oxopyrrolidine-2-carboxamide
CID 5093114
(2S)-1-[2-[[(3R)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide
CID 57341087
(2S)-1-[2-[[(3S)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide
CID 57341815

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidine-2-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidine-2-carbonyl]pyrrolidine-2-carboxamide (CID 134138041) is (2S)-1-[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidine-2-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidine-2-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidine-2-carbonyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-1-[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidine-2-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is FEBNRYQDLLSKAN-SRVKXCTJSA-N. The full InChI is InChI=1S/C16H24N4O4/c17-14(22)11-5-3-9-19(11)16(24)12-4-1-2-8-20(12)15(23)10-6-7-13(21)18-10/h10-12H,1-9H2,(H2,17,22)(H,18,21)/t10-,11-,12-/m0/s1.
What are the key properties of (2S)-1-[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidine-2-carbonyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidine-2-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of -0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidine-2-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 134138041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).