2-[(2,2-difluorocyclopentanecarbonyl)amino]acetic acid

C8H11F2NO3 — CID 130636476

IUPAC2-[(2,2-difluorocyclopentanecarbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1CCCC1(F)F
InChIInChI=1S/C8H11F2NO3/c9-8(10)3-1-2-5(8)7(14)11-4-6(12)13/h5H,1-4H2,(H,11,14)(H,12,13)
InChIKeyAZZNFGFHGMEBOW-UHFFFAOYSA-N
MW207.18 g/mol
LogP0.62
Rot. Bonds3

About 2-[(2,2-difluorocyclopentanecarbonyl)amino]acetic acid

2-[(2,2-difluorocyclopentanecarbonyl)amino]acetic acid (PubChem CID 130636476) has the molecular formula C8H11F2NO3 and a molecular weight of 207.18 g/mol. Its IUPAC name is 2-[(2,2-difluorocyclopentanecarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,2-difluorocyclopentanecarbonyl)amino]acetic acid
PubChem CID130636476
Molecular FormulaC8H11F2NO3
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Name2-[(2,2-difluorocyclopentanecarbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1CCCC1(F)F
InChIInChI=1S/C8H11F2NO3/c9-8(10)3-1-2-5(8)7(14)11-4-6(12)13/h5H,1-4H2,(H,11,14)(H,12,13)
InChIKeyAZZNFGFHGMEBOW-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2,2-difluorocyclopentane-1-carboxamide
CID 131101773
N-[1-(chloromethyl)cyclopropyl]-2,2-difluorocyclopentane-1-carboxamide
CID 131047751
2,2-difluoro-N-[2-(prop-2-enoylamino)ethyl]cyclohexane-1-carboxamide
CID 154832544
(1R)-2,2-difluorocycloheptane-1-carboxylic acid
CID 97297799
2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid
CID 135255076
[(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid
CID 68779730
N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104917114
1-(2,2-difluorocyclohexyl)ethanone
CID 131187691
2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 107178834
2-[(2-methylcyclopentanecarbonyl)amino]acetic acid
CID 107175041
cyanomethyl 2,2-difluorocyclopentane-1-carboxylate
CID 130634596
(1,2-difluorocyclopentyl)carbamic acid
CID 67128390

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluorocyclopentanecarbonyl)amino]acetic acid?
The IUPAC name of 2-[(2,2-difluorocyclopentanecarbonyl)amino]acetic acid (CID 130636476) is 2-[(2,2-difluorocyclopentanecarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,2-difluorocyclopentanecarbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2,2-difluorocyclopentanecarbonyl)amino]acetic acid is O=C(O)CNC(=O)C1CCCC1(F)F.
What is the InChIKey of 2-[(2,2-difluorocyclopentanecarbonyl)amino]acetic acid?
The InChIKey is AZZNFGFHGMEBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO3/c9-8(10)3-1-2-5(8)7(14)11-4-6(12)13/h5H,1-4H2,(H,11,14)(H,12,13).
What are the key properties of 2-[(2,2-difluorocyclopentanecarbonyl)amino]acetic acid?
2-[(2,2-difluorocyclopentanecarbonyl)amino]acetic acid has a molecular weight of 207.18 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluorocyclopentanecarbonyl)amino]acetic acid is sourced from PubChem (CID 130636476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).