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

C10H17NO5 — CID 175446818

IUPAC(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCO[C@H]1C(=O)O
InChIInChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-6-4-5-15-7(6)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)/t6?,7-/m1/s1
InChIKeyAMWWDVGQNOILKO-COBSHVIPSA-N
MW231.25 g/mol
LogP0.75
Rot. Bonds2

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

(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-2-carboxylic acid (PubChem CID 175446818) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-2-carboxylic acid
PubChem CID175446818
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCO[C@H]1C(=O)O
InChIInChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-6-4-5-15-7(6)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)/t6?,7-/m1/s1
InChIKeyAMWWDVGQNOILKO-COBSHVIPSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid
CID 178113941
tert-butyl N-[2-(2-methylpropanoyl)oxolan-3-yl]carbamate
CID 165467477
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480
tert-butyl N-[(4S,4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]carbamate
CID 160939669
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-(2-methyloxan-4-yl)carbamate
CID 103887643
(1R,4Z,8S)-8-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooct-4-ene-1-carboxylic acid
CID 17039484
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 83919551
tert-butyl N-[(1S,2S)-2-formylcyclopentyl]carbamate
CID 96612570

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-2-carboxylic acid?
The IUPAC name of (2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-2-carboxylic acid (CID 175446818) is (2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-2-carboxylic acid?
The canonical SMILES for (2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-2-carboxylic acid is CC(C)(C)OC(=O)NC1CCO[C@H]1C(=O)O.
What is the InChIKey of (2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-2-carboxylic acid?
The InChIKey is AMWWDVGQNOILKO-COBSHVIPSA-N. The full InChI is InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-6-4-5-15-7(6)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)/t6?,7-/m1/s1.
What are the key properties of (2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-2-carboxylic acid?
(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-2-carboxylic acid is sourced from PubChem (CID 175446818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).