3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid

C14H17FN2O3 — CID 122012971

IUPAC3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NC1CC(c2ccccc2F)C1
InChIInChI=1S/C14H17FN2O3/c15-12-4-2-1-3-11(12)9-7-10(8-9)17-14(20)16-6-5-13(18)19/h1-4,9-10H,5-8H2,(H,18,19)(H2,16,17,20)
InChIKeyBTFTZNDPLXFFGO-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.85
Rot. Bonds5

About 3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid

3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid (PubChem CID 122012971) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid
PubChem CID122012971
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NC1CC(c2ccccc2F)C1
InChIInChI=1S/C14H17FN2O3/c15-12-4-2-1-3-11(12)9-7-10(8-9)17-14(20)16-6-5-13(18)19/h1-4,9-10H,5-8H2,(H,18,19)(H2,16,17,20)
InChIKeyBTFTZNDPLXFFGO-UHFFFAOYSA-N
XLogP1.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid
CID 122012972
3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid
CID 114007977
1-[[3-(4-chlorophenyl)cyclobutyl]methyl]-3-[3-(2-fluorophenyl)cyclobutyl]urea
CID 166369688
5-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanamide
CID 106233343
3-[[3-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamoylamino]propanoic acid
CID 122013011
3-(2,3-dihydro-1-benzothiophen-3-ylcarbamoylamino)propanoic acid
CID 122002704
methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate
CID 60782595
3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid
CID 122008222
3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43634310
3-[[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704689
4-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]butanoic acid
CID 122011176
3-(2-fluorophenyl)-N-phenylmethoxycyclobutan-1-amine
CID 82709787

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid?
The IUPAC name of 3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid (CID 122012971) is 3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid is O=C(O)CCNC(=O)NC1CC(c2ccccc2F)C1.
What is the InChIKey of 3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid?
The InChIKey is BTFTZNDPLXFFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-12-4-2-1-3-11(12)9-7-10(8-9)17-14(20)16-6-5-13(18)19/h1-4,9-10H,5-8H2,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid?
3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid has a molecular weight of 280.30 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 122012971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).