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

C10H17NO5 — CID 45026943

IUPAC3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-10(7(12)13)4-5-15-6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyNTJLSVSHOMWEIC-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.75
Rot. Bonds2

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

3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid (PubChem CID 45026943) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
PubChem CID45026943
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-10(7(12)13)4-5-15-6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyNTJLSVSHOMWEIC-UHFFFAOYSA-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

6-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxepane-6-carboxylic acid
CID 130559641
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxane-5-carboxylic acid
CID 58906675
(1R,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxabicyclo[3.1.0]hexane-3-carboxylic acid
CID 98172538
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate
CID 67520206
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1,4-dicarboxylic acid
CID 66873251
3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid
CID 79812034
tert-butyl N-[1-(1-hydroxyethenyl)cyclopropyl]carbamate
CID 70266871
3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-thiabicyclo[3.2.1]octane-3-carboxylic acid
CID 171936567
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate
CID 105489495
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-4-carboxylic acid
CID 40630548

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid (CID 45026943) is 3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid is CC(C)(C)OC(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid?
The InChIKey is NTJLSVSHOMWEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-10(7(12)13)4-5-15-6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid?
3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-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 3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 45026943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).