2-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid

C8H11F2NO3 — CID 119348545

IUPAC2-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1CC(F)(F)C1)C(=O)O
InChIInChI=1S/C8H11F2NO3/c1-4(7(13)14)11-6(12)5-2-8(9,10)3-5/h4-5H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyXOMHCKIKOQFVBO-UHFFFAOYSA-N
MW207.18 g/mol
LogP0.62
Rot. Bonds3

About 2-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid

2-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid (PubChem CID 119348545) has the molecular formula C8H11F2NO3 and a molecular weight of 207.18 g/mol. Its IUPAC name is 2-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid
PubChem CID119348545
Molecular FormulaC8H11F2NO3
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Name2-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1CC(F)(F)C1)C(=O)O
InChIInChI=1S/C8H11F2NO3/c1-4(7(13)14)11-6(12)5-2-8(9,10)3-5/h4-5H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyXOMHCKIKOQFVBO-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

3,3-difluoro-N-[(2R)-1-hydroxypropan-2-yl]cyclobutane-1-carboxamide
CID 130834234
3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclobutane-1-carboxamide
CID 164821522
2-(thiane-4-carbonylamino)propanoic acid
CID 119348546
2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid
CID 119225683
N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 139335059
(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 79526672
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 66477984
2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid
CID 119225718
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 43355333
2-[(4-phenylcyclohexanecarbonyl)amino]propanoic acid
CID 119225869
(2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 61131550
2-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24705199

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid?
The IUPAC name of 2-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid (CID 119348545) is 2-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid is CC(NC(=O)C1CC(F)(F)C1)C(=O)O.
What is the InChIKey of 2-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid?
The InChIKey is XOMHCKIKOQFVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO3/c1-4(7(13)14)11-6(12)5-2-8(9,10)3-5/h4-5H,2-3H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid?
2-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic 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-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 119348545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).