(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid

C10H17NO5 — CID 105489052

IUPAC(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)O
InChIInChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-7-5-15-4-6(7)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)/t6-,7+/m0/s1
InChIKeyFUECAVZSGQIGRI-NKWVEPMBSA-N
MW231.25 g/mol
LogP0.61
Rot. Bonds2

About (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid

(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid (PubChem CID 105489052) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
PubChem CID105489052
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)O
InChIInChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-7-5-15-4-6(7)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)/t6-,7+/m0/s1
InChIKeyFUECAVZSGQIGRI-NKWVEPMBSA-N
XLogP0.61
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid (CID 105489052) is (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid is CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)O.
What is the InChIKey of (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid?
The InChIKey is FUECAVZSGQIGRI-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-7-5-15-4-6(7)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)/t6-,7+/m0/s1.
What are the key properties of (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid?
(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 105489052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).