methyl (2S)-2-(4-chloro-3-fluorophenyl)-2-[[(3R)-oxolane-3-carbonyl]amino]acetate

C14H15ClFNO4 — CID 124514051

IUPACmethyl (2S)-2-(4-chloro-3-fluorophenyl)-2-[[(3R)-oxolane-3-carbonyl]amino]acetate
SMILESCOC(=O)[C@@H](NC(=O)[C@@H]1CCOC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H15ClFNO4/c1-20-14(19)12(8-2-3-10(15)11(16)6-8)17-13(18)9-4-5-21-7-9/h2-3,6,9,12H,4-5,7H2,1H3,(H,17,18)/t9-,12+/m1/s1
InChIKeyUURLSFLLEHQQCY-SKDRFNHKSA-N
MW315.73 g/mol
LogP1.85
Rot. Bonds4

About methyl (2S)-2-(4-chloro-3-fluorophenyl)-2-[[(3R)-oxolane-3-carbonyl]amino]acetate

methyl (2S)-2-(4-chloro-3-fluorophenyl)-2-[[(3R)-oxolane-3-carbonyl]amino]acetate (PubChem CID 124514051) has the molecular formula C14H15ClFNO4 and a molecular weight of 315.73 g/mol. Its IUPAC name is methyl (2S)-2-(4-chloro-3-fluorophenyl)-2-[[(3R)-oxolane-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-(4-chloro-3-fluorophenyl)-2-[[(3R)-oxolane-3-carbonyl]amino]acetate
PubChem CID124514051
Molecular FormulaC14H15ClFNO4
Molecular Weight315.73 g/mol
Exact Mass315.07
IUPAC Namemethyl (2S)-2-(4-chloro-3-fluorophenyl)-2-[[(3R)-oxolane-3-carbonyl]amino]acetate
SMILESCOC(=O)[C@@H](NC(=O)[C@@H]1CCOC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H15ClFNO4/c1-20-14(19)12(8-2-3-10(15)11(16)6-8)17-13(18)9-4-5-21-7-9/h2-3,6,9,12H,4-5,7H2,1H3,(H,17,18)/t9-,12+/m1/s1
InChIKeyUURLSFLLEHQQCY-SKDRFNHKSA-N
XLogP1.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-(4-chloro-3-fluorophenyl)-2-[[(3R)-oxolane-3-carbonyl]amino]acetate with MolForge

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Related Compounds

(3S)-3-(4-chloro-3-fluorophenyl)-3-[[(3S)-oxane-3-carbonyl]amino]propanoic acid
CID 124700631
(3S)-N-[(1R,2S)-1-(4-chlorophenyl)-1-methoxypropan-2-yl]oxolane-3-carboxamide
CID 129377879
(3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide
CID 95275632
methyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate
CID 130277314
methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate
CID 62540494
methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146135
methyl (2R)-2-(4-chloro-3-fluorophenyl)-2-(pyridine-3-carbonylamino)acetate
CID 97061708
methyl (2S)-2-(cyclopropanecarbonylamino)-2-(2,5-difluorophenyl)acetate
CID 95289567
N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide
CID 61272362
N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide
CID 71862058
(3R)-N-[(1R)-1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide
CID 96529069
(3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide
CID 129433195

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(4-chloro-3-fluorophenyl)-2-[[(3R)-oxolane-3-carbonyl]amino]acetate?
The IUPAC name of methyl (2S)-2-(4-chloro-3-fluorophenyl)-2-[[(3R)-oxolane-3-carbonyl]amino]acetate (CID 124514051) is methyl (2S)-2-(4-chloro-3-fluorophenyl)-2-[[(3R)-oxolane-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl (2S)-2-(4-chloro-3-fluorophenyl)-2-[[(3R)-oxolane-3-carbonyl]amino]acetate?
The canonical SMILES for methyl (2S)-2-(4-chloro-3-fluorophenyl)-2-[[(3R)-oxolane-3-carbonyl]amino]acetate is COC(=O)[C@@H](NC(=O)[C@@H]1CCOC1)c1ccc(Cl)c(F)c1.
What is the InChIKey of methyl (2S)-2-(4-chloro-3-fluorophenyl)-2-[[(3R)-oxolane-3-carbonyl]amino]acetate?
The InChIKey is UURLSFLLEHQQCY-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H15ClFNO4/c1-20-14(19)12(8-2-3-10(15)11(16)6-8)17-13(18)9-4-5-21-7-9/h2-3,6,9,12H,4-5,7H2,1H3,(H,17,18)/t9-,12+/m1/s1.
What are the key properties of methyl (2S)-2-(4-chloro-3-fluorophenyl)-2-[[(3R)-oxolane-3-carbonyl]amino]acetate?
methyl (2S)-2-(4-chloro-3-fluorophenyl)-2-[[(3R)-oxolane-3-carbonyl]amino]acetate has a molecular weight of 315.73 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(4-chloro-3-fluorophenyl)-2-[[(3R)-oxolane-3-carbonyl]amino]acetate is sourced from PubChem (CID 124514051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).