2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-4-carboxylic acid

C12H20N2O4 — CID 115102469

IUPAC2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)N1CCCC1CN1C(=O)OCC1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-8(2)13-5-3-4-9(13)6-14-10(11(15)16)7-18-12(14)17/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyMZYVQRCDDAOMSR-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.76
Rot. Bonds4

About 2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-4-carboxylic acid

2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-4-carboxylic acid (PubChem CID 115102469) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-4-carboxylic acid
PubChem CID115102469
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)N1CCCC1CN1C(=O)OCC1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-8(2)13-5-3-4-9(13)6-14-10(11(15)16)7-18-12(14)17/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyMZYVQRCDDAOMSR-UHFFFAOYSA-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

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Related Compounds

(5R)-2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-5-carboxylic acid
CID 115056717
2-oxo-3-(thian-2-ylmethyl)-1,3-oxazolidine-4-carboxylic acid
CID 115102486
2-oxo-3-(2-piperidin-1-ylethyl)-1,3-oxazolidine-4-carboxylic acid
CID 115102549
2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrazole-3-carboxylic acid
CID 167396164
5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one
CID 115102735
3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115102311
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
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898
methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate
CID 162750775
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate
CID 164547816

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-4-carboxylic acid (CID 115102469) is 2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-4-carboxylic acid is CC(C)N1CCCC1CN1C(=O)OCC1C(=O)O.
What is the InChIKey of 2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is MZYVQRCDDAOMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8(2)13-5-3-4-9(13)6-14-10(11(15)16)7-18-12(14)17/h8-10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-4-carboxylic acid?
2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-4-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 2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 115102469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).