methyl (2S)-2-(cyclopentanecarbonylamino)-2-(2,5-difluorophenyl)acetate

C15H17F2NO3 — CID 95284034

IUPACmethyl (2S)-2-(cyclopentanecarbonylamino)-2-(2,5-difluorophenyl)acetate
SMILESCOC(=O)[C@@H](NC(=O)C1CCCC1)c1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO3/c1-21-15(20)13(11-8-10(16)6-7-12(11)17)18-14(19)9-4-2-3-5-9/h6-9,13H,2-5H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyVELWNNYKANLOCN-ZDUSSCGKSA-N
MW297.30 g/mol
LogP2.49
Rot. Bonds4

About methyl (2S)-2-(cyclopentanecarbonylamino)-2-(2,5-difluorophenyl)acetate

methyl (2S)-2-(cyclopentanecarbonylamino)-2-(2,5-difluorophenyl)acetate (PubChem CID 95284034) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is methyl (2S)-2-(cyclopentanecarbonylamino)-2-(2,5-difluorophenyl)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-(cyclopentanecarbonylamino)-2-(2,5-difluorophenyl)acetate
PubChem CID95284034
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Namemethyl (2S)-2-(cyclopentanecarbonylamino)-2-(2,5-difluorophenyl)acetate
SMILESCOC(=O)[C@@H](NC(=O)C1CCCC1)c1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO3/c1-21-15(20)13(11-8-10(16)6-7-12(11)17)18-14(19)9-4-2-3-5-9/h6-9,13H,2-5H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyVELWNNYKANLOCN-ZDUSSCGKSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(cyclopropanecarbonylamino)-2-(2,5-difluorophenyl)acetate
CID 95289567
methyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate
CID 130277314
methyl (2S)-2-(2,5-difluorophenyl)-2-[3-[(2R)-oxolan-2-yl]propanoylamino]acetate
CID 95383404
methyl 2-(2,5-difluorophenyl)-2-(prop-2-ynylamino)acetate
CID 55063341
(3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide
CID 81123282
methyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate
CID 95140162
N-[1-(2,5-difluorophenyl)propyl]piperidine-4-carboxamide
CID 119333172
methyl 2-(2,5-difluorophenyl)propanoate
CID 62801922
methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate
CID 51888842
methyl 2-(2,5-difluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892899
2-(cyclopropylamino)-2-(2,5-difluorophenyl)acetamide
CID 60796305
methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride
CID 171247795

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(cyclopentanecarbonylamino)-2-(2,5-difluorophenyl)acetate?
The IUPAC name of methyl (2S)-2-(cyclopentanecarbonylamino)-2-(2,5-difluorophenyl)acetate (CID 95284034) is methyl (2S)-2-(cyclopentanecarbonylamino)-2-(2,5-difluorophenyl)acetate.
What is the SMILES notation for methyl (2S)-2-(cyclopentanecarbonylamino)-2-(2,5-difluorophenyl)acetate?
The canonical SMILES for methyl (2S)-2-(cyclopentanecarbonylamino)-2-(2,5-difluorophenyl)acetate is COC(=O)[C@@H](NC(=O)C1CCCC1)c1cc(F)ccc1F.
What is the InChIKey of methyl (2S)-2-(cyclopentanecarbonylamino)-2-(2,5-difluorophenyl)acetate?
The InChIKey is VELWNNYKANLOCN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-21-15(20)13(11-8-10(16)6-7-12(11)17)18-14(19)9-4-2-3-5-9/h6-9,13H,2-5H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of methyl (2S)-2-(cyclopentanecarbonylamino)-2-(2,5-difluorophenyl)acetate?
methyl (2S)-2-(cyclopentanecarbonylamino)-2-(2,5-difluorophenyl)acetate has a molecular weight of 297.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(cyclopentanecarbonylamino)-2-(2,5-difluorophenyl)acetate is sourced from PubChem (CID 95284034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).