3-[(2S)-1-aminopropan-2-yl]-1,3-oxazolidine-2,4-dione

C6H10N2O3 — CID 99737584

IUPAC3-[(2S)-1-aminopropan-2-yl]-1,3-oxazolidine-2,4-dione
SMILESC[C@@H](CN)N1C(=O)COC1=O
InChIInChI=1S/C6H10N2O3/c1-4(2-7)8-5(9)3-11-6(8)10/h4H,2-3,7H2,1H3/t4-/m0/s1
InChIKeyHUNITOUCAKAKBW-BYPYZUCNSA-N
MW158.16 g/mol
LogP-0.69
Rot. Bonds2

About 3-[(2S)-1-aminopropan-2-yl]-1,3-oxazolidine-2,4-dione

3-[(2S)-1-aminopropan-2-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 99737584) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 3-[(2S)-1-aminopropan-2-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-1-aminopropan-2-yl]-1,3-oxazolidine-2,4-dione
PubChem CID99737584
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name3-[(2S)-1-aminopropan-2-yl]-1,3-oxazolidine-2,4-dione
SMILESC[C@@H](CN)N1C(=O)COC1=O
InChIInChI=1S/C6H10N2O3/c1-4(2-7)8-5(9)3-11-6(8)10/h4H,2-3,7H2,1H3/t4-/m0/s1
InChIKeyHUNITOUCAKAKBW-BYPYZUCNSA-N
XLogP-0.69
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-aminopropan-2-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[(2S)-1-aminopropan-2-yl]-1,3-oxazolidine-2,4-dione (CID 99737584) is 3-[(2S)-1-aminopropan-2-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[(2S)-1-aminopropan-2-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[(2S)-1-aminopropan-2-yl]-1,3-oxazolidine-2,4-dione is C[C@@H](CN)N1C(=O)COC1=O.
What is the InChIKey of 3-[(2S)-1-aminopropan-2-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is HUNITOUCAKAKBW-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-4(2-7)8-5(9)3-11-6(8)10/h4H,2-3,7H2,1H3/t4-/m0/s1.
What are the key properties of 3-[(2S)-1-aminopropan-2-yl]-1,3-oxazolidine-2,4-dione?
3-[(2S)-1-aminopropan-2-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 158.16 g/mol, XLogP of -0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-aminopropan-2-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 99737584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).