(2S)-N-[(2S)-4-methyl-1-[3-(2-methylpropyl)-5-oxopiperazin-1-yl]pentan-2-yl]-4-oxopyrrolidine-2-carboxamide

C19H34N4O3 — CID 90663545

IUPAC(2S)-N-[(2S)-4-methyl-1-[3-(2-methylpropyl)-5-oxopiperazin-1-yl]pentan-2-yl]-4-oxopyrrolidine-2-carboxamide
SMILESCC(C)CC1CN(C[C@H](CC(C)C)NC(=O)[C@@H]2CC(=O)CN2)CC(=O)N1
InChIInChI=1S/C19H34N4O3/c1-12(2)5-14-9-23(11-18(25)21-14)10-15(6-13(3)4)22-19(26)17-7-16(24)8-20-17/h12-15,17,20H,5-11H2,1-4H3,(H,21,25)(H,22,26)/t14?,15-,17-/m0/s1
InChIKeyHZPGKJAYLDEBMC-ZWBSKUQPSA-N
MW366.51 g/mol
LogP0.29
Rot. Bonds8

About (2S)-N-[(2S)-4-methyl-1-[3-(2-methylpropyl)-5-oxopiperazin-1-yl]pentan-2-yl]-4-oxopyrrolidine-2-carboxamide

(2S)-N-[(2S)-4-methyl-1-[3-(2-methylpropyl)-5-oxopiperazin-1-yl]pentan-2-yl]-4-oxopyrrolidine-2-carboxamide (PubChem CID 90663545) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is (2S)-N-[(2S)-4-methyl-1-[3-(2-methylpropyl)-5-oxopiperazin-1-yl]pentan-2-yl]-4-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-4-methyl-1-[3-(2-methylpropyl)-5-oxopiperazin-1-yl]pentan-2-yl]-4-oxopyrrolidine-2-carboxamide
PubChem CID90663545
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Name(2S)-N-[(2S)-4-methyl-1-[3-(2-methylpropyl)-5-oxopiperazin-1-yl]pentan-2-yl]-4-oxopyrrolidine-2-carboxamide
SMILESCC(C)CC1CN(C[C@H](CC(C)C)NC(=O)[C@@H]2CC(=O)CN2)CC(=O)N1
InChIInChI=1S/C19H34N4O3/c1-12(2)5-14-9-23(11-18(25)21-14)10-15(6-13(3)4)22-19(26)17-7-16(24)8-20-17/h12-15,17,20H,5-11H2,1-4H3,(H,21,25)(H,22,26)/t14?,15-,17-/m0/s1
InChIKeyHZPGKJAYLDEBMC-ZWBSKUQPSA-N
XLogP0.29
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-4-methyl-1-[3-(2-methylpropyl)-5-oxopiperazin-1-yl]pentan-2-yl]-4-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-4-methyl-1-[3-(2-methylpropyl)-5-oxopiperazin-1-yl]pentan-2-yl]-4-oxopyrrolidine-2-carboxamide (CID 90663545) is (2S)-N-[(2S)-4-methyl-1-[3-(2-methylpropyl)-5-oxopiperazin-1-yl]pentan-2-yl]-4-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-4-methyl-1-[3-(2-methylpropyl)-5-oxopiperazin-1-yl]pentan-2-yl]-4-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-4-methyl-1-[3-(2-methylpropyl)-5-oxopiperazin-1-yl]pentan-2-yl]-4-oxopyrrolidine-2-carboxamide is CC(C)CC1CN(C[C@H](CC(C)C)NC(=O)[C@@H]2CC(=O)CN2)CC(=O)N1.
What is the InChIKey of (2S)-N-[(2S)-4-methyl-1-[3-(2-methylpropyl)-5-oxopiperazin-1-yl]pentan-2-yl]-4-oxopyrrolidine-2-carboxamide?
The InChIKey is HZPGKJAYLDEBMC-ZWBSKUQPSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-12(2)5-14-9-23(11-18(25)21-14)10-15(6-13(3)4)22-19(26)17-7-16(24)8-20-17/h12-15,17,20H,5-11H2,1-4H3,(H,21,25)(H,22,26)/t14?,15-,17-/m0/s1.
What are the key properties of (2S)-N-[(2S)-4-methyl-1-[3-(2-methylpropyl)-5-oxopiperazin-1-yl]pentan-2-yl]-4-oxopyrrolidine-2-carboxamide?
(2S)-N-[(2S)-4-methyl-1-[3-(2-methylpropyl)-5-oxopiperazin-1-yl]pentan-2-yl]-4-oxopyrrolidine-2-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 0.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-4-methyl-1-[3-(2-methylpropyl)-5-oxopiperazin-1-yl]pentan-2-yl]-4-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 90663545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).