2-amino-3-(3,3-difluorocyclopentyl)propanamide

C8H14F2N2O — CID 130487339

IUPAC2-amino-3-(3,3-difluorocyclopentyl)propanamide
SMILESNC(=O)C(N)CC1CCC(F)(F)C1
InChIInChI=1S/C8H14F2N2O/c9-8(10)2-1-5(4-8)3-6(11)7(12)13/h5-6H,1-4,11H2,(H2,12,13)
InChIKeyPVGGKWBSSYMCOI-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.62
Rot. Bonds3

About 2-amino-3-(3,3-difluorocyclopentyl)propanamide

2-amino-3-(3,3-difluorocyclopentyl)propanamide (PubChem CID 130487339) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-amino-3-(3,3-difluorocyclopentyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(3,3-difluorocyclopentyl)propanamide
PubChem CID130487339
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name2-amino-3-(3,3-difluorocyclopentyl)propanamide
SMILESNC(=O)C(N)CC1CCC(F)(F)C1
InChIInChI=1S/C8H14F2N2O/c9-8(10)2-1-5(4-8)3-6(11)7(12)13/h5-6H,1-4,11H2,(H2,12,13)
InChIKeyPVGGKWBSSYMCOI-UHFFFAOYSA-N
XLogP0.62
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(4,4-difluorocyclohexyl)propanoic acid;hydrochloride
CID 138958473
3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol
CID 164658398
1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
2-amino-3-cyclobutylpropanamide
CID 65458295
methyl (2S)-2-[[(1S)-3,3-difluorocyclopentyl]methyl]butanoate
CID 58484957
3-amino-4-(3,3-difluorocyclobutyl)butan-2-one
CID 142882728
1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
CID 126974544
2-amino-3-(oxan-4-yl)propanamide
CID 64990540
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane
CID 130487711
1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol
CID 114224509
2-(3,3-difluorocyclopentyl)-N'-hydroxyethanimidamide
CID 142465564
1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol
CID 127003791

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,3-difluorocyclopentyl)propanamide?
The IUPAC name of 2-amino-3-(3,3-difluorocyclopentyl)propanamide (CID 130487339) is 2-amino-3-(3,3-difluorocyclopentyl)propanamide.
What is the SMILES notation for 2-amino-3-(3,3-difluorocyclopentyl)propanamide?
The canonical SMILES for 2-amino-3-(3,3-difluorocyclopentyl)propanamide is NC(=O)C(N)CC1CCC(F)(F)C1.
What is the InChIKey of 2-amino-3-(3,3-difluorocyclopentyl)propanamide?
The InChIKey is PVGGKWBSSYMCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c9-8(10)2-1-5(4-8)3-6(11)7(12)13/h5-6H,1-4,11H2,(H2,12,13).
What are the key properties of 2-amino-3-(3,3-difluorocyclopentyl)propanamide?
2-amino-3-(3,3-difluorocyclopentyl)propanamide has a molecular weight of 192.21 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-amino-3-(3,3-difluorocyclopentyl)propanamide is sourced from PubChem (CID 130487339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).