ethyl 2-[(4S)-4-(2-aminoethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate

C10H17N3O5 — CID 50851140

IUPACethyl 2-[(4S)-4-(2-aminoethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
SMILESCCOC(=O)CN1C(=O)OC[C@H]1C(=O)NCCN
InChIInChI=1S/C10H17N3O5/c1-2-17-8(14)5-13-7(6-18-10(13)16)9(15)12-4-3-11/h7H,2-6,11H2,1H3,(H,12,15)/t7-/m0/s1
InChIKeyYJSSWGIPYASFSL-ZETCQYMHSA-N
MW259.26 g/mol
LogP-1.55
Rot. Bonds6

About ethyl 2-[(4S)-4-(2-aminoethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate

ethyl 2-[(4S)-4-(2-aminoethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate (PubChem CID 50851140) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is ethyl 2-[(4S)-4-(2-aminoethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4S)-4-(2-aminoethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
PubChem CID50851140
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Nameethyl 2-[(4S)-4-(2-aminoethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
SMILESCCOC(=O)CN1C(=O)OC[C@H]1C(=O)NCCN
InChIInChI=1S/C10H17N3O5/c1-2-17-8(14)5-13-7(6-18-10(13)16)9(15)12-4-3-11/h7H,2-6,11H2,1H3,(H,12,15)/t7-/m0/s1
InChIKeyYJSSWGIPYASFSL-ZETCQYMHSA-N
XLogP-1.55
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4S)-4-(2-aminoethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The IUPAC name of ethyl 2-[(4S)-4-(2-aminoethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate (CID 50851140) is ethyl 2-[(4S)-4-(2-aminoethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(4S)-4-(2-aminoethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[(4S)-4-(2-aminoethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate is CCOC(=O)CN1C(=O)OC[C@H]1C(=O)NCCN.
What is the InChIKey of ethyl 2-[(4S)-4-(2-aminoethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The InChIKey is YJSSWGIPYASFSL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-2-17-8(14)5-13-7(6-18-10(13)16)9(15)12-4-3-11/h7H,2-6,11H2,1H3,(H,12,15)/t7-/m0/s1.
What are the key properties of ethyl 2-[(4S)-4-(2-aminoethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
ethyl 2-[(4S)-4-(2-aminoethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate has a molecular weight of 259.26 g/mol, XLogP of -1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4S)-4-(2-aminoethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate is sourced from PubChem (CID 50851140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).