(3-chlorophenyl)methyl 4-aminooxolane-3-carboxylate

C12H14ClNO3 — CID 66238721

IUPAC(3-chlorophenyl)methyl 4-aminooxolane-3-carboxylate
SMILESNC1COCC1C(=O)OCc1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO3/c13-9-3-1-2-8(4-9)5-17-12(15)10-6-16-7-11(10)14/h1-4,10-11H,5-7,14H2
InChIKeyPXUHZVHVGNTFFO-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.36
Rot. Bonds3

About (3-chlorophenyl)methyl 4-aminooxolane-3-carboxylate

(3-chlorophenyl)methyl 4-aminooxolane-3-carboxylate (PubChem CID 66238721) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 4-aminooxolane-3-carboxylate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 4-aminooxolane-3-carboxylate
PubChem CID66238721
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name(3-chlorophenyl)methyl 4-aminooxolane-3-carboxylate
SMILESNC1COCC1C(=O)OCc1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO3/c13-9-3-1-2-8(4-9)5-17-12(15)10-6-16-7-11(10)14/h1-4,10-11H,5-7,14H2
InChIKeyPXUHZVHVGNTFFO-UHFFFAOYSA-N
XLogP1.36
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate
CID 66267072
4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide
CID 66237478
(3-chlorophenyl)methyl 4-aminocyclopent-2-ene-1-carboxylate
CID 79209447
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
4-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide
CID 66240217
(3-chlorophenyl)methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 65127027
(3-chlorophenyl)methyl 2-methoxyacetate
CID 142607419
argon;(3-chlorophenyl)methyl benzoate
CID 174492322
(3-chlorophenyl)methyl 2-amino-2-methylpropanoate
CID 65126970
3-[(3-chlorophenyl)methyl]oxetane
CID 129453186
(3-chlorophenyl)methyl 4-ethylpiperidine-2-carboxylate
CID 114430091
benzyl (4S)-2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 46201175

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 4-aminooxolane-3-carboxylate?
The IUPAC name of (3-chlorophenyl)methyl 4-aminooxolane-3-carboxylate (CID 66238721) is (3-chlorophenyl)methyl 4-aminooxolane-3-carboxylate.
What is the SMILES notation for (3-chlorophenyl)methyl 4-aminooxolane-3-carboxylate?
The canonical SMILES for (3-chlorophenyl)methyl 4-aminooxolane-3-carboxylate is NC1COCC1C(=O)OCc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)methyl 4-aminooxolane-3-carboxylate?
The InChIKey is PXUHZVHVGNTFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-9-3-1-2-8(4-9)5-17-12(15)10-6-16-7-11(10)14/h1-4,10-11H,5-7,14H2.
What are the key properties of (3-chlorophenyl)methyl 4-aminooxolane-3-carboxylate?
(3-chlorophenyl)methyl 4-aminooxolane-3-carboxylate has a molecular weight of 255.70 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 4-aminooxolane-3-carboxylate is sourced from PubChem (CID 66238721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).