4-[1-(1-fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

C15H24FNO4 — CID 142085485

IUPAC4-[1-(1-fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESC=C(F)C1(CCC(NC(=O)OC(C)(C)C)C(=O)O)CCC1
InChIInChI=1S/C15H24FNO4/c1-10(16)15(7-5-8-15)9-6-11(12(18)19)17-13(20)21-14(2,3)4/h11H,1,5-9H2,2-4H3,(H,17,20)(H,18,19)
InChIKeySBBCAXFDXDHJOR-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.40
Rot. Bonds6

About 4-[1-(1-fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

4-[1-(1-fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (PubChem CID 142085485) has the molecular formula C15H24FNO4 and a molecular weight of 301.36 g/mol. Its IUPAC name is 4-[1-(1-fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.

Molecular Properties

Compound Name4-[1-(1-fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
PubChem CID142085485
Molecular FormulaC15H24FNO4
Molecular Weight301.36 g/mol
Exact Mass301.17
IUPAC Name4-[1-(1-fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESC=C(F)C1(CCC(NC(=O)OC(C)(C)C)C(=O)O)CCC1
InChIInChI=1S/C15H24FNO4/c1-10(16)15(7-5-8-15)9-6-11(12(18)19)17-13(20)21-14(2,3)4/h11H,1,5-9H2,2-4H3,(H,17,20)(H,18,19)
InChIKeySBBCAXFDXDHJOR-UHFFFAOYSA-N
XLogP3.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[1-(1-fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{[(Tert-butoxy)carbonyl]amino}-3-(1-methylcyclobutyl)propanoic acid
CID 67379818
2-{[(Tert-butoxy)carbonyl]amino}-2-{spiro[3.3]heptan-2-yl}acetic acid
CID 135392170
(2S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid
CID 21083648
5-Fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid
CID 58801166
5,5-Difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid
CID 58801297
(2S)-5,5-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid
CID 59554172
3-(1-Fluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 67229314
2-[1-(1-Fluoroethenyl)cyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 88980683
2-[1-(1-Fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 89528661
(2R)-5,5-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid
CID 154008980
(2R)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid
CID 154008981
3-[1-(1-Fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 163651503

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The IUPAC name of 4-[1-(1-fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (CID 142085485) is 4-[1-(1-fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
What is the SMILES notation for 4-[1-(1-fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The canonical SMILES for 4-[1-(1-fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is C=C(F)C1(CCC(NC(=O)OC(C)(C)C)C(=O)O)CCC1.
What is the InChIKey of 4-[1-(1-fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The InChIKey is SBBCAXFDXDHJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO4/c1-10(16)15(7-5-8-15)9-6-11(12(18)19)17-13(20)21-14(2,3)4/h11H,1,5-9H2,2-4H3,(H,17,20)(H,18,19).
What are the key properties of 4-[1-(1-fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
4-[1-(1-fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid has a molecular weight of 301.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is sourced from PubChem (CID 142085485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).