methyl (2R,5R)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylate

C8H15NO3 — CID 11652169

IUPACmethyl (2R,5R)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylate
SMILESCOC(=O)[C@H]1CC[C@H]([C@H](C)N)O1
InChIInChI=1S/C8H15NO3/c1-5(9)6-3-4-7(12-6)8(10)11-2/h5-7H,3-4,9H2,1-2H3/t5-,6+,7+/m0/s1
InChIKeyNXJDCXVOPDSOJJ-RRKCRQDMSA-N
MW173.21 g/mol
LogP0.05
Rot. Bonds2

About methyl (2R,5R)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylate

methyl (2R,5R)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylate (PubChem CID 11652169) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl (2R,5R)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,5R)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylate
PubChem CID11652169
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl (2R,5R)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylate
SMILESCOC(=O)[C@H]1CC[C@H]([C@H](C)N)O1
InChIInChI=1S/C8H15NO3/c1-5(9)6-3-4-7(12-6)8(10)11-2/h5-7H,3-4,9H2,1-2H3/t5-,6+,7+/m0/s1
InChIKeyNXJDCXVOPDSOJJ-RRKCRQDMSA-N
XLogP0.05
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,5R)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylate?
The IUPAC name of methyl (2R,5R)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylate (CID 11652169) is methyl (2R,5R)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylate.
What is the SMILES notation for methyl (2R,5R)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylate?
The canonical SMILES for methyl (2R,5R)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylate is COC(=O)[C@H]1CC[C@H]([C@H](C)N)O1.
What is the InChIKey of methyl (2R,5R)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylate?
The InChIKey is NXJDCXVOPDSOJJ-RRKCRQDMSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5(9)6-3-4-7(12-6)8(10)11-2/h5-7H,3-4,9H2,1-2H3/t5-,6+,7+/m0/s1.
What are the key properties of methyl (2R,5R)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylate?
methyl (2R,5R)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylate has a molecular weight of 173.21 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5R)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylate is sourced from PubChem (CID 11652169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).