(3R)-3-(methylamino)oxolane-3-carboxylic acid

C6H11NO3 — CID 95380076

IUPAC(3R)-3-(methylamino)oxolane-3-carboxylic acid
SMILESCN[C@]1(C(=O)O)CCOC1
InChIInChI=1S/C6H11NO3/c1-7-6(5(8)9)2-3-10-4-6/h7H,2-4H2,1H3,(H,8,9)/t6-/m1/s1
InChIKeyMJWDEAFUSRYCFO-ZCFIWIBFSA-N
MW145.16 g/mol
LogP-0.55
Rot. Bonds2

About (3R)-3-(methylamino)oxolane-3-carboxylic acid

(3R)-3-(methylamino)oxolane-3-carboxylic acid (PubChem CID 95380076) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (3R)-3-(methylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(methylamino)oxolane-3-carboxylic acid
PubChem CID95380076
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(3R)-3-(methylamino)oxolane-3-carboxylic acid
SMILESCN[C@]1(C(=O)O)CCOC1
InChIInChI=1S/C6H11NO3/c1-7-6(5(8)9)2-3-10-4-6/h7H,2-4H2,1H3,(H,8,9)/t6-/m1/s1
InChIKeyMJWDEAFUSRYCFO-ZCFIWIBFSA-N
XLogP-0.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)oxolane-3-carboxylic acid
CID 63335789
3-(methylphosphanylamino)oxolane-3-carboxylic acid
CID 89260571
3-(methylamino)-N-methylsulfonyloxolane-3-carboxamide
CID 130571757
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid
CID 64888098
3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 64893261
3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
CID 45026943
3-(2-methylbutanoylamino)oxolane-3-carboxylic acid
CID 64888643
3-(methylamino)-N-(2-methylcyclopropyl)oxolane-3-carboxamide
CID 126982804
3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid
CID 120532697
3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 79350166
3-(cycloheptylamino)oxolane-3-carboxylic acid
CID 63333317

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methylamino)oxolane-3-carboxylic acid?
The IUPAC name of (3R)-3-(methylamino)oxolane-3-carboxylic acid (CID 95380076) is (3R)-3-(methylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for (3R)-3-(methylamino)oxolane-3-carboxylic acid?
The canonical SMILES for (3R)-3-(methylamino)oxolane-3-carboxylic acid is CN[C@]1(C(=O)O)CCOC1.
What is the InChIKey of (3R)-3-(methylamino)oxolane-3-carboxylic acid?
The InChIKey is MJWDEAFUSRYCFO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11NO3/c1-7-6(5(8)9)2-3-10-4-6/h7H,2-4H2,1H3,(H,8,9)/t6-/m1/s1.
What are the key properties of (3R)-3-(methylamino)oxolane-3-carboxylic acid?
(3R)-3-(methylamino)oxolane-3-carboxylic acid has a molecular weight of 145.16 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 95380076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).