(5R)-2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-5-carboxylic acid

C12H20N2O4 — CID 115056717

IUPAC(5R)-2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-5-carboxylic acid
SMILESCC(C)N1CCCC1CN1C[C@H](C(=O)O)OC1=O
InChIInChI=1S/C12H20N2O4/c1-8(2)14-5-3-4-9(14)6-13-7-10(11(15)16)18-12(13)17/h8-10H,3-7H2,1-2H3,(H,15,16)/t9?,10-/m1/s1
InChIKeyZOTCOKIYTPATLT-QVDQXJPCSA-N
MW256.30 g/mol
LogP0.76
Rot. Bonds4

About (5R)-2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-5-carboxylic acid

(5R)-2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-5-carboxylic acid (PubChem CID 115056717) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (5R)-2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name(5R)-2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-5-carboxylic acid
PubChem CID115056717
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(5R)-2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-5-carboxylic acid
SMILESCC(C)N1CCCC1CN1C[C@H](C(=O)O)OC1=O
InChIInChI=1S/C12H20N2O4/c1-8(2)14-5-3-4-9(14)6-13-7-10(11(15)16)18-12(13)17/h8-10H,3-7H2,1-2H3,(H,15,16)/t9?,10-/m1/s1
InChIKeyZOTCOKIYTPATLT-QVDQXJPCSA-N
XLogP0.76
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-5-carboxylic acid with MolForge

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Related Compounds

2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-4-carboxylic acid
CID 115102469
2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrazole-3-carboxylic acid
CID 167396164
(5R)-3-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 115056552
1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301
4-methyl-2-oxo-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridine-3-carboxylic acid
CID 170503371
(5R)-3-[(1-ethylpyrrolidin-2-yl)methyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115056709
1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 170366373
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate
CID 164547816
1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
CID 79537839
methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]prop-2-enoate
CID 117266941
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878

Frequently Asked Questions

What is the IUPAC name of (5R)-2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of (5R)-2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-5-carboxylic acid (CID 115056717) is (5R)-2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for (5R)-2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for (5R)-2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-5-carboxylic acid is CC(C)N1CCCC1CN1C[C@H](C(=O)O)OC1=O.
What is the InChIKey of (5R)-2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is ZOTCOKIYTPATLT-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8(2)14-5-3-4-9(14)6-13-7-10(11(15)16)18-12(13)17/h8-10H,3-7H2,1-2H3,(H,15,16)/t9?,10-/m1/s1.
What are the key properties of (5R)-2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-5-carboxylic acid?
(5R)-2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 115056717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).