(3R,4R)-3-[ethyl(methyl)amino]-4-fluorooxolane-3-carboxylic acid

C8H14FNO3 — CID 70639649

IUPAC(3R,4R)-3-[ethyl(methyl)amino]-4-fluorooxolane-3-carboxylic acid
SMILESCCN(C)[C@@]1(C(=O)O)COC[C@@H]1F
InChIInChI=1S/C8H14FNO3/c1-3-10(2)8(7(11)12)5-13-4-6(8)9/h6H,3-5H2,1-2H3,(H,11,12)/t6-,8-/m0/s1
InChIKeySTLVIMQDNYDBPS-XPUUQOCRSA-N
MW191.20 g/mol
LogP0.13
Rot. Bonds3

About (3R,4R)-3-[ethyl(methyl)amino]-4-fluorooxolane-3-carboxylic acid

(3R,4R)-3-[ethyl(methyl)amino]-4-fluorooxolane-3-carboxylic acid (PubChem CID 70639649) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is (3R,4R)-3-[ethyl(methyl)amino]-4-fluorooxolane-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-3-[ethyl(methyl)amino]-4-fluorooxolane-3-carboxylic acid
PubChem CID70639649
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Name(3R,4R)-3-[ethyl(methyl)amino]-4-fluorooxolane-3-carboxylic acid
SMILESCCN(C)[C@@]1(C(=O)O)COC[C@@H]1F
InChIInChI=1S/C8H14FNO3/c1-3-10(2)8(7(11)12)5-13-4-6(8)9/h6H,3-5H2,1-2H3,(H,11,12)/t6-,8-/m0/s1
InChIKeySTLVIMQDNYDBPS-XPUUQOCRSA-N
XLogP0.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3-amino-4-fluorooxolane-3-carboxylic acid
CID 70639707
(3aR,6aR)-5-[2-(diethylamino)-2-oxoethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 139599725
(3aR,6aR)-5-ethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 138039508
1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 82236408
(1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid
CID 155897633
1-[acetyl(ethyl)amino]-2,3-dimethylcyclohexane-1-carboxylic acid
CID 64755378
4-amino-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 66262615
3,4-bis(2,2-dimethylbutyl)oxolane-3-carboxylic acid
CID 170150787
4-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66249785
4-[[butyl(ethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66248574
4-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66248589
N,N-dimethylethanamine;oxetane;propanoic acid
CID 172999103

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[ethyl(methyl)amino]-4-fluorooxolane-3-carboxylic acid?
The IUPAC name of (3R,4R)-3-[ethyl(methyl)amino]-4-fluorooxolane-3-carboxylic acid (CID 70639649) is (3R,4R)-3-[ethyl(methyl)amino]-4-fluorooxolane-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-3-[ethyl(methyl)amino]-4-fluorooxolane-3-carboxylic acid?
The canonical SMILES for (3R,4R)-3-[ethyl(methyl)amino]-4-fluorooxolane-3-carboxylic acid is CCN(C)[C@@]1(C(=O)O)COC[C@@H]1F.
What is the InChIKey of (3R,4R)-3-[ethyl(methyl)amino]-4-fluorooxolane-3-carboxylic acid?
The InChIKey is STLVIMQDNYDBPS-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H14FNO3/c1-3-10(2)8(7(11)12)5-13-4-6(8)9/h6H,3-5H2,1-2H3,(H,11,12)/t6-,8-/m0/s1.
What are the key properties of (3R,4R)-3-[ethyl(methyl)amino]-4-fluorooxolane-3-carboxylic acid?
(3R,4R)-3-[ethyl(methyl)amino]-4-fluorooxolane-3-carboxylic acid has a molecular weight of 191.20 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[ethyl(methyl)amino]-4-fluorooxolane-3-carboxylic acid is sourced from PubChem (CID 70639649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).