3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one

C10H17N3O3 — CID 103577185

IUPAC3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one
SMILESCC1CN(CC(=O)N2CCOC2=O)CC1N
InChIInChI=1S/C10H17N3O3/c1-7-4-12(5-8(7)11)6-9(14)13-2-3-16-10(13)15/h7-8H,2-6,11H2,1H3
InChIKeyFPSGGWLONSBAQH-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.76
Rot. Bonds2

About 3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one

3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 103577185) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one
PubChem CID103577185
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one
SMILESCC1CN(CC(=O)N2CCOC2=O)CC1N
InChIInChI=1S/C10H17N3O3/c1-7-4-12(5-8(7)11)6-9(14)13-2-3-16-10(13)15/h7-8H,2-6,11H2,1H3
InChIKeyFPSGGWLONSBAQH-UHFFFAOYSA-N
XLogP-0.76
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid
CID 115918754
2-(3-amino-4-methylpyrrolidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 103576869
3-[2-[2-(1-aminoethyl)morpholin-4-yl]acetyl]-1,3-oxazolidin-2-one
CID 113285046
3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 107225668
2-[4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperazin-1-yl]propanoic acid
CID 62312465
3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one
CID 103358031
3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid
CID 107072467
2-(3-amino-4-methylpyrrolidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 103577107
3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid
CID 62216172
3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137
2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 72919963
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxan-4-yl)acetamide
CID 103576576

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one (CID 103577185) is 3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one is CC1CN(CC(=O)N2CCOC2=O)CC1N.
What is the InChIKey of 3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is FPSGGWLONSBAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7-4-12(5-8(7)11)6-9(14)13-2-3-16-10(13)15/h7-8H,2-6,11H2,1H3.
What are the key properties of 3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one?
3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 227.26 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 103577185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).