2-[1-[[(E)-5-phenylpent-4-enoyl]amino]cyclobutyl]acetic acid

C17H21NO3 — CID 119217364

IUPAC2-[1-[[(E)-5-phenylpent-4-enoyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CC/C=C/c2ccccc2)CCC1
InChIInChI=1S/C17H21NO3/c19-15(18-17(11-6-12-17)13-16(20)21)10-5-4-9-14-7-2-1-3-8-14/h1-4,7-9H,5-6,10-13H2,(H,18,19)(H,20,21)/b9-4+
InChIKeyZSXIOHVJVWWKCB-RUDMXATFSA-N
MW287.36 g/mol
LogP2.99
Rot. Bonds7

About 2-[1-[[(E)-5-phenylpent-4-enoyl]amino]cyclobutyl]acetic acid

2-[1-[[(E)-5-phenylpent-4-enoyl]amino]cyclobutyl]acetic acid (PubChem CID 119217364) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[1-[[(E)-5-phenylpent-4-enoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(E)-5-phenylpent-4-enoyl]amino]cyclobutyl]acetic acid
PubChem CID119217364
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[1-[[(E)-5-phenylpent-4-enoyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CC/C=C/c2ccccc2)CCC1
InChIInChI=1S/C17H21NO3/c19-15(18-17(11-6-12-17)13-16(20)21)10-5-4-9-14-7-2-1-3-8-14/h1-4,7-9H,5-6,10-13H2,(H,18,19)(H,20,21)/b9-4+
InChIKeyZSXIOHVJVWWKCB-RUDMXATFSA-N
XLogP2.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-5-phenylpent-4-enoic acid
CID 5370650
2-[1-[4-(2-methylphenoxy)butanoylamino]cyclobutyl]acetic acid
CID 119218009
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
2-[1-(hexanoylamino)cyclobutyl]acetic acid
CID 79848224
2-[1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclobutyl]acetic acid
CID 119218020
2-[1-[3-(3,5-dimethylphenyl)propanoylamino]cyclobutyl]acetic acid
CID 120522116
2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid
CID 119217384
2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid
CID 119217835
2-[1-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]acetic acid
CID 79851305
2-[1-[3-(2-nitroanilino)propanoylamino]cyclobutyl]acetic acid
CID 119217311
2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid
CID 79846404
2-[1-[4-(4-bromophenyl)sulfanylbutanoylamino]cyclobutyl]acetic acid
CID 119217217

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(E)-5-phenylpent-4-enoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(E)-5-phenylpent-4-enoyl]amino]cyclobutyl]acetic acid (CID 119217364) is 2-[1-[[(E)-5-phenylpent-4-enoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(E)-5-phenylpent-4-enoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(E)-5-phenylpent-4-enoyl]amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)CC/C=C/c2ccccc2)CCC1.
What is the InChIKey of 2-[1-[[(E)-5-phenylpent-4-enoyl]amino]cyclobutyl]acetic acid?
The InChIKey is ZSXIOHVJVWWKCB-RUDMXATFSA-N. The full InChI is InChI=1S/C17H21NO3/c19-15(18-17(11-6-12-17)13-16(20)21)10-5-4-9-14-7-2-1-3-8-14/h1-4,7-9H,5-6,10-13H2,(H,18,19)(H,20,21)/b9-4+.
What are the key properties of 2-[1-[[(E)-5-phenylpent-4-enoyl]amino]cyclobutyl]acetic acid?
2-[1-[[(E)-5-phenylpent-4-enoyl]amino]cyclobutyl]acetic acid has a molecular weight of 287.36 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(E)-5-phenylpent-4-enoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).