(2S)-2-(2-methylpropyl)-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylic acid

C14H23NO5 — CID 67946379

IUPAC(2S)-2-(2-methylpropyl)-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylic acid
SMILESCC(C)C[C@H]1C(OC2CCCCO2)CC(=O)N1C(=O)O
InChIInChI=1S/C14H23NO5/c1-9(2)7-10-11(8-12(16)15(10)14(17)18)20-13-5-3-4-6-19-13/h9-11,13H,3-8H2,1-2H3,(H,17,18)/t10-,11?,13?/m0/s1
InChIKeyIJAWKKXVIRILAI-ZBOXLXRLSA-N
MW285.34 g/mol
LogP2.22
Rot. Bonds4

About (2S)-2-(2-methylpropyl)-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylic acid

(2S)-2-(2-methylpropyl)-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylic acid (PubChem CID 67946379) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2S)-2-(2-methylpropyl)-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(2-methylpropyl)-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylic acid
PubChem CID67946379
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name(2S)-2-(2-methylpropyl)-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylic acid
SMILESCC(C)C[C@H]1C(OC2CCCCO2)CC(=O)N1C(=O)O
InChIInChI=1S/C14H23NO5/c1-9(2)7-10-11(8-12(16)15(10)14(17)18)20-13-5-3-4-6-19-13/h9-11,13H,3-8H2,1-2H3,(H,17,18)/t10-,11?,13?/m0/s1
InChIKeyIJAWKKXVIRILAI-ZBOXLXRLSA-N
XLogP2.22
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(2-methylpropyl)-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one
CID 57199576
2-methyl-3-[2-(oxan-2-yloxy)-4-oxocyclopentyl]but-2-enal
CID 139608730
2-methyl-3-[2-(oxan-2-yloxy)-5-oxocyclohexyl]prop-2-enal
CID 139608746
4-methyl-2-(oxan-2-yloxyamino)-2-(1-oxopropan-2-yl)pentanoic acid
CID 54130755
2-(oxan-2-yloxy)propanoic acid
CID 542280
3-(oxan-2-yloxy)butanoic acid
CID 14279636
2,4-dimethyl-1-[[5-(oxan-2-yloxy)-3-tricyclo[4.3.1.13,8]undecanyl]oxy]-2-propan-2-ylpentan-1-ol
CID 163996476
7-[(1R,2R,3R)-2-[(3S,5S)-5-methyl-3-(oxan-2-yloxy)non-1-enyl]-3-(oxan-2-yloxy)-5-oxocyclopentyl]-6-oxoheptanoic acid
CID 56627510
2-[(2R,3R)-2-[(E)-4-methyl-1-(oxan-2-yloxy)oct-1-enyl]-3-(oxan-2-yloxy)-5-oxocyclopentylidene]acetic acid
CID 70489632
(3aR,5R,6aS)-4-(hydroxymethyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 73357579
(3aR,6aS)-4-(hydroxymethyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 67875628
[(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol
CID 98113125

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylpropyl)-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-(2-methylpropyl)-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylic acid (CID 67946379) is (2S)-2-(2-methylpropyl)-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-(2-methylpropyl)-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-(2-methylpropyl)-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylic acid is CC(C)C[C@H]1C(OC2CCCCO2)CC(=O)N1C(=O)O.
What is the InChIKey of (2S)-2-(2-methylpropyl)-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylic acid?
The InChIKey is IJAWKKXVIRILAI-ZBOXLXRLSA-N. The full InChI is InChI=1S/C14H23NO5/c1-9(2)7-10-11(8-12(16)15(10)14(17)18)20-13-5-3-4-6-19-13/h9-11,13H,3-8H2,1-2H3,(H,17,18)/t10-,11?,13?/m0/s1.
What are the key properties of (2S)-2-(2-methylpropyl)-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylic acid?
(2S)-2-(2-methylpropyl)-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylpropyl)-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67946379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).