methyl 2-[1-[2-amino-2-(2,4-difluorophenyl)ethyl]cyclopentyl]acetate

C16H21F2NO2 — CID 61070965

IUPACmethyl 2-[1-[2-amino-2-(2,4-difluorophenyl)ethyl]cyclopentyl]acetate
SMILESCOC(=O)CC1(CC(N)c2ccc(F)cc2F)CCCC1
InChIInChI=1S/C16H21F2NO2/c1-21-15(20)10-16(6-2-3-7-16)9-14(19)12-5-4-11(17)8-13(12)18/h4-5,8,14H,2-3,6-7,9-10,19H2,1H3
InChIKeyDJDHEAMGHSUNGW-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.48
Rot. Bonds5

About methyl 2-[1-[2-amino-2-(2,4-difluorophenyl)ethyl]cyclopentyl]acetate

methyl 2-[1-[2-amino-2-(2,4-difluorophenyl)ethyl]cyclopentyl]acetate (PubChem CID 61070965) has the molecular formula C16H21F2NO2 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 2-[1-[2-amino-2-(2,4-difluorophenyl)ethyl]cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-amino-2-(2,4-difluorophenyl)ethyl]cyclopentyl]acetate
PubChem CID61070965
Molecular FormulaC16H21F2NO2
Molecular Weight297.35 g/mol
Exact Mass297.15
IUPAC Namemethyl 2-[1-[2-amino-2-(2,4-difluorophenyl)ethyl]cyclopentyl]acetate
SMILESCOC(=O)CC1(CC(N)c2ccc(F)cc2F)CCCC1
InChIInChI=1S/C16H21F2NO2/c1-21-15(20)10-16(6-2-3-7-16)9-14(19)12-5-4-11(17)8-13(12)18/h4-5,8,14H,2-3,6-7,9-10,19H2,1H3
InChIKeyDJDHEAMGHSUNGW-UHFFFAOYSA-N
XLogP3.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-[2-amino-2-(2,5-dibromophenyl)ethyl]cyclopentyl]acetate
CID 61070207
methyl 5-amino-5-(2,4-difluorophenyl)pentanoate
CID 54927803
methyl 2-[1-[2-amino-2-(4-chlorophenyl)ethyl]cyclohexyl]acetate
CID 60860658
methyl 4-amino-3-(2,4-difluorophenyl)pentanoate
CID 66096858
methyl 2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetate
CID 102828927
2-[1-[2-amino-2-(2-bromo-4-methoxyphenyl)ethyl]cyclopentyl]acetic acid
CID 61070396
tert-butyl N-[2-amino-2-(2,4-difluorophenyl)ethyl]carbamate;hydrochloride
CID 76853764
methyl 2-[1-[[4-fluoro-2-(hydroxymethyl)phenyl]sulfanylmethyl]cyclopropyl]acetate
CID 107778467
(2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine
CID 116769928
methyl 4-(2,4-difluorophenyl)-3,4-dihydroxybutanoate
CID 171895163
methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride
CID 171247795
methyl 2-[1-[[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]sulfanylmethyl]cyclopropyl]acetate
CID 107778453

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-amino-2-(2,4-difluorophenyl)ethyl]cyclopentyl]acetate?
The IUPAC name of methyl 2-[1-[2-amino-2-(2,4-difluorophenyl)ethyl]cyclopentyl]acetate (CID 61070965) is methyl 2-[1-[2-amino-2-(2,4-difluorophenyl)ethyl]cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[1-[2-amino-2-(2,4-difluorophenyl)ethyl]cyclopentyl]acetate?
The canonical SMILES for methyl 2-[1-[2-amino-2-(2,4-difluorophenyl)ethyl]cyclopentyl]acetate is COC(=O)CC1(CC(N)c2ccc(F)cc2F)CCCC1.
What is the InChIKey of methyl 2-[1-[2-amino-2-(2,4-difluorophenyl)ethyl]cyclopentyl]acetate?
The InChIKey is DJDHEAMGHSUNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-21-15(20)10-16(6-2-3-7-16)9-14(19)12-5-4-11(17)8-13(12)18/h4-5,8,14H,2-3,6-7,9-10,19H2,1H3.
What are the key properties of methyl 2-[1-[2-amino-2-(2,4-difluorophenyl)ethyl]cyclopentyl]acetate?
methyl 2-[1-[2-amino-2-(2,4-difluorophenyl)ethyl]cyclopentyl]acetate has a molecular weight of 297.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-amino-2-(2,4-difluorophenyl)ethyl]cyclopentyl]acetate is sourced from PubChem (CID 61070965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).