[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate

C15H18ClNO4 — CID 8729837

IUPAC[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SMILESCc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CCCO1
InChIInChI=1S/C15H18ClNO4/c1-9-5-6-11(16)8-12(9)17-14(18)10(2)21-15(19)13-4-3-7-20-13/h5-6,8,10,13H,3-4,7H2,1-2H3,(H,17,18)/t10-,13-/m0/s1
InChIKeyRHOQVGXMGOSUOD-GWCFXTLKSA-N
MW311.76 g/mol
LogP2.70
Rot. Bonds4

About [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate

[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate (PubChem CID 8729837) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
PubChem CID8729837
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SMILESCc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CCCO1
InChIInChI=1S/C15H18ClNO4/c1-9-5-6-11(16)8-12(9)17-14(18)10(2)21-15(19)13-4-3-7-20-13/h5-6,8,10,13H,3-4,7H2,1-2H3,(H,17,18)/t10-,13-/m0/s1
InChIKeyRHOQVGXMGOSUOD-GWCFXTLKSA-N
XLogP2.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate with MolForge

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Related Compounds

[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
CID 8729520
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
CID 8729869
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-5-oxopyrrolidine-2-carboxylate
CID 27508482
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
CID 8729638
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
CID 43626479
[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 46618072
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730
[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 4-phenylbenzoate
CID 7709757
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
CID 1431917
[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
CID 8729981
2-acetamido-N-(5-chloro-2-methylphenyl)-2-cyclopentylacetamide
CID 51272260

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate?
The IUPAC name of [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate (CID 8729837) is [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate.
What is the SMILES notation for [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate?
The canonical SMILES for [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate is Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CCCO1.
What is the InChIKey of [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate?
The InChIKey is RHOQVGXMGOSUOD-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-9-5-6-11(16)8-12(9)17-14(18)10(2)21-15(19)13-4-3-7-20-13/h5-6,8,10,13H,3-4,7H2,1-2H3,(H,17,18)/t10-,13-/m0/s1.
What are the key properties of [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate?
[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate has a molecular weight of 311.76 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate is sourced from PubChem (CID 8729837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).