methyl 2-[[(3R,4S)-4-methoxyoxolan-3-yl]amino]acetate

C8H15NO4 — CID 166513459

IUPACmethyl 2-[[(3R,4S)-4-methoxyoxolan-3-yl]amino]acetate
SMILESCOC(=O)CN[C@@H]1COC[C@H]1OC
InChIInChI=1S/C8H15NO4/c1-11-7-5-13-4-6(7)9-3-8(10)12-2/h6-7,9H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyHJDMROUIIZGJFT-RNFRBKRXSA-N
MW189.21 g/mol
LogP-0.84
Rot. Bonds4

About methyl 2-[[(3R,4S)-4-methoxyoxolan-3-yl]amino]acetate

methyl 2-[[(3R,4S)-4-methoxyoxolan-3-yl]amino]acetate (PubChem CID 166513459) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 2-[[(3R,4S)-4-methoxyoxolan-3-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(3R,4S)-4-methoxyoxolan-3-yl]amino]acetate
PubChem CID166513459
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namemethyl 2-[[(3R,4S)-4-methoxyoxolan-3-yl]amino]acetate
SMILESCOC(=O)CN[C@@H]1COC[C@H]1OC
InChIInChI=1S/C8H15NO4/c1-11-7-5-13-4-6(7)9-3-8(10)12-2/h6-7,9H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyHJDMROUIIZGJFT-RNFRBKRXSA-N
XLogP-0.84
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3R,4S)-4-methoxyoxolan-3-yl]amino]acetate?
The IUPAC name of methyl 2-[[(3R,4S)-4-methoxyoxolan-3-yl]amino]acetate (CID 166513459) is methyl 2-[[(3R,4S)-4-methoxyoxolan-3-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[(3R,4S)-4-methoxyoxolan-3-yl]amino]acetate?
The canonical SMILES for methyl 2-[[(3R,4S)-4-methoxyoxolan-3-yl]amino]acetate is COC(=O)CN[C@@H]1COC[C@H]1OC.
What is the InChIKey of methyl 2-[[(3R,4S)-4-methoxyoxolan-3-yl]amino]acetate?
The InChIKey is HJDMROUIIZGJFT-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15NO4/c1-11-7-5-13-4-6(7)9-3-8(10)12-2/h6-7,9H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of methyl 2-[[(3R,4S)-4-methoxyoxolan-3-yl]amino]acetate?
methyl 2-[[(3R,4S)-4-methoxyoxolan-3-yl]amino]acetate has a molecular weight of 189.21 g/mol, XLogP of -0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3R,4S)-4-methoxyoxolan-3-yl]amino]acetate is sourced from PubChem (CID 166513459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).