(3-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate

C13H16ClNO3 — CID 66267072

IUPAC(3-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate
SMILESCNC1COCC1C(=O)OCc1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO3/c1-15-12-8-17-7-11(12)13(16)18-6-9-3-2-4-10(14)5-9/h2-5,11-12,15H,6-8H2,1H3
InChIKeyOQPCISHORNCAFO-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.62
Rot. Bonds4

About (3-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate

(3-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate (PubChem CID 66267072) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate
PubChem CID66267072
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name(3-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate
SMILESCNC1COCC1C(=O)OCc1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO3/c1-15-12-8-17-7-11(12)13(16)18-6-9-3-2-4-10(14)5-9/h2-5,11-12,15H,6-8H2,1H3
InChIKeyOQPCISHORNCAFO-UHFFFAOYSA-N
XLogP1.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate
CID 66267073
(3-chlorophenyl)methyl 4-aminooxolane-3-carboxylate
CID 66238721
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
(3-chlorophenyl)methyl 4-aminocyclopent-2-ene-1-carboxylate
CID 79209447
(3-chlorophenyl)methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 65127027
(3-chlorophenyl)methyl (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 952069
4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide
CID 66237478
(2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone
CID 116561275
N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66267194
(3-chlorophenyl)methyl 2-methoxyacetate
CID 142607419
(3-chlorophenyl)methyl 2-amino-2-methylpropanoate
CID 65126970
(3R,4R)-3-[(3-chlorophenyl)methyl]-N-methyloxan-4-amine
CID 97167889

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate?
The IUPAC name of (3-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate (CID 66267072) is (3-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate.
What is the SMILES notation for (3-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate?
The canonical SMILES for (3-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate is CNC1COCC1C(=O)OCc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate?
The InChIKey is OQPCISHORNCAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-15-12-8-17-7-11(12)13(16)18-6-9-3-2-4-10(14)5-9/h2-5,11-12,15H,6-8H2,1H3.
What are the key properties of (3-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate?
(3-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate has a molecular weight of 269.73 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate is sourced from PubChem (CID 66267072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).