(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide

C12H18N2O4 — CID 17034856

IUPAC(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESC[C@@H](C(=O)NCC1CCCO1)N1C(=O)CCC1=O
InChIInChI=1S/C12H18N2O4/c1-8(14-10(15)4-5-11(14)16)12(17)13-7-9-3-2-6-18-9/h8-9H,2-7H2,1H3,(H,13,17)/t8-,9?/m0/s1
InChIKeyGNJVQJPTBMDUQF-IENPIDJESA-N
MW254.29 g/mol
LogP-0.18
Rot. Bonds4

About (2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide

(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 17034856) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID17034856
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESC[C@@H](C(=O)NCC1CCCO1)N1C(=O)CCC1=O
InChIInChI=1S/C12H18N2O4/c1-8(14-10(15)4-5-11(14)16)12(17)13-7-9-3-2-6-18-9/h8-9H,2-7H2,1H3,(H,13,17)/t8-,9?/m0/s1
InChIKeyGNJVQJPTBMDUQF-IENPIDJESA-N
XLogP-0.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 776917
2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3128939
(2R)-2-[(1R,2S,6S,7R,8S,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 124722386
(2R)-2-[(1S,2R,6S,7S,8R,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 98142855
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 128592950
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 19533299
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 122278741
(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124621251
(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94067063

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide (CID 17034856) is (2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide is C[C@@H](C(=O)NCC1CCCO1)N1C(=O)CCC1=O.
What is the InChIKey of (2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is GNJVQJPTBMDUQF-IENPIDJESA-N. The full InChI is InChI=1S/C12H18N2O4/c1-8(14-10(15)4-5-11(14)16)12(17)13-7-9-3-2-6-18-9/h8-9H,2-7H2,1H3,(H,13,17)/t8-,9?/m0/s1.
What are the key properties of (2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 254.29 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 17034856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).