(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-[2-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide

C20H37N5O3 — CID 70832641

IUPAC(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-[2-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCCC1N1C(=O)NCC1C(C)C)C(C)(C)C
InChIInChI=1S/C20H37N5O3/c1-12(2)14-11-22-19(28)25(14)15-9-8-10-24(15)18(27)16(20(4,5)6)23-17(26)13(3)21-7/h12-16,21H,8-11H2,1-7H3,(H,22,28)(H,23,26)/t13-,14?,15?,16+/m0/s1
InChIKeyXWGFOVCCVCCCLB-SLTXQBBLSA-N
MW395.55 g/mol
LogP1.12
Rot. Bonds6

About (2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-[2-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide

(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-[2-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide (PubChem CID 70832641) has the molecular formula C20H37N5O3 and a molecular weight of 395.55 g/mol. Its IUPAC name is (2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-[2-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-[2-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide
PubChem CID70832641
Molecular FormulaC20H37N5O3
Molecular Weight395.55 g/mol
Exact Mass395.29
IUPAC Name(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-[2-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCCC1N1C(=O)NCC1C(C)C)C(C)(C)C
InChIInChI=1S/C20H37N5O3/c1-12(2)14-11-22-19(28)25(14)15-9-8-10-24(15)18(27)16(20(4,5)6)23-17(26)13(3)21-7/h12-16,21H,8-11H2,1-7H3,(H,22,28)(H,23,26)/t13-,14?,15?,16+/m0/s1
InChIKeyXWGFOVCCVCCCLB-SLTXQBBLSA-N
XLogP1.12
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-[2-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-[2-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide (CID 70832641) is (2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-[2-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-[2-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-[2-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCCC1N1C(=O)NCC1C(C)C)C(C)(C)C.
What is the InChIKey of (2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-[2-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide?
The InChIKey is XWGFOVCCVCCCLB-SLTXQBBLSA-N. The full InChI is InChI=1S/C20H37N5O3/c1-12(2)14-11-22-19(28)25(14)15-9-8-10-24(15)18(27)16(20(4,5)6)23-17(26)13(3)21-7/h12-16,21H,8-11H2,1-7H3,(H,22,28)(H,23,26)/t13-,14?,15?,16+/m0/s1.
What are the key properties of (2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-[2-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide?
(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-[2-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide has a molecular weight of 395.55 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-[2-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 70832641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).