1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C15H17F2NO3 — CID 63377776

IUPAC1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NCc1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO3/c16-11-3-4-12(17)10(7-11)9-18-13(19)8-15(14(20)21)5-1-2-6-15/h3-4,7H,1-2,5-6,8-9H2,(H,18,19)(H,20,21)
InChIKeyBZZZIBPZRQLSOV-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.62
Rot. Bonds5

About 1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 63377776) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID63377776
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NCc1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO3/c16-11-3-4-12(17)10(7-11)9-18-13(19)8-15(14(20)21)5-1-2-6-15/h3-4,7H,1-2,5-6,8-9H2,(H,18,19)(H,20,21)
InChIKeyBZZZIBPZRQLSOV-UHFFFAOYSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61016742
1-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 65195023
1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43529529
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43397115
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402226
N-[(2,5-difluorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 138997783
4-[(2,5-difluorophenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63792431
N-[(2,5-difluorophenyl)methyl]-3-oxobutanamide
CID 63795355
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide
CID 115271338
2-(cyclopentylamino)-N-[(2,5-difluorophenyl)methyl]acetamide
CID 63793411
methyl 3-[(2,5-difluorophenyl)methylamino]-3-oxopropanoate
CID 115174318

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 63377776) is 1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)NCc1cc(F)ccc1F.
What is the InChIKey of 1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is BZZZIBPZRQLSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c16-11-3-4-12(17)10(7-11)9-18-13(19)8-15(14(20)21)5-1-2-6-15/h3-4,7H,1-2,5-6,8-9H2,(H,18,19)(H,20,21).
What are the key properties of 1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 297.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63377776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).