ethyl (2R,4S)-4-aminooxane-2-carboxylate

C8H15NO3 — CID 170901195

IUPACethyl (2R,4S)-4-aminooxane-2-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](N)CCO1
InChIInChI=1S/C8H15NO3/c1-2-11-8(10)7-5-6(9)3-4-12-7/h6-7H,2-5,9H2,1H3/t6-,7+/m0/s1
InChIKeyOVNOLZPLVXIWCL-NKWVEPMBSA-N
MW173.21 g/mol
LogP0.06
Rot. Bonds2

About ethyl (2R,4S)-4-aminooxane-2-carboxylate

ethyl (2R,4S)-4-aminooxane-2-carboxylate (PubChem CID 170901195) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl (2R,4S)-4-aminooxane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,4S)-4-aminooxane-2-carboxylate
PubChem CID170901195
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl (2R,4S)-4-aminooxane-2-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](N)CCO1
InChIInChI=1S/C8H15NO3/c1-2-11-8(10)7-5-6(9)3-4-12-7/h6-7H,2-5,9H2,1H3/t6-,7+/m0/s1
InChIKeyOVNOLZPLVXIWCL-NKWVEPMBSA-N
XLogP0.06
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 ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-aminooxane-2-carboxylate
CID 131498894
ethyl 2-methyloxane-4-carboxylate
CID 131105017
ethyl (2S,4S)-4-(benzylamino)oxane-2-carboxylate
CID 171371464
ethyl (4R)-4-methyloxetane-2-carboxylate
CID 178051520
ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate
CID 117046513
ethyl morpholine-2-carboxylate;dihydrochloride
CID 127258967
ethyl 2-oxabicyclo[3.1.0]hexane-6-carboxylate
CID 10487113
ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride
CID 117046512
ethyl 4-(oxan-2-yloxy)oxolane-2-carboxylate
CID 172613346
diethyl 5-aminocyclohexane-1,3-dicarboxylate
CID 117273182
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4S)-4-aminooxane-2-carboxylate?
The IUPAC name of ethyl (2R,4S)-4-aminooxane-2-carboxylate (CID 170901195) is ethyl (2R,4S)-4-aminooxane-2-carboxylate.
What is the SMILES notation for ethyl (2R,4S)-4-aminooxane-2-carboxylate?
The canonical SMILES for ethyl (2R,4S)-4-aminooxane-2-carboxylate is CCOC(=O)[C@H]1C[C@@H](N)CCO1.
What is the InChIKey of ethyl (2R,4S)-4-aminooxane-2-carboxylate?
The InChIKey is OVNOLZPLVXIWCL-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-11-8(10)7-5-6(9)3-4-12-7/h6-7H,2-5,9H2,1H3/t6-,7+/m0/s1.
What are the key properties of ethyl (2R,4S)-4-aminooxane-2-carboxylate?
ethyl (2R,4S)-4-aminooxane-2-carboxylate has a molecular weight of 173.21 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,4S)-4-aminooxane-2-carboxylate is sourced from PubChem (CID 170901195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).