2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid

C16H21NO3 — CID 119217384

IUPAC2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid
SMILESCC(CC(=O)NC1(CC(=O)O)CCC1)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-12(13-6-3-2-4-7-13)10-14(18)17-16(8-5-9-16)11-15(19)20/h2-4,6-7,12H,5,8-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyJLNMZDPJXQJMTA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.69
Rot. Bonds6

About 2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid

2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid (PubChem CID 119217384) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid
PubChem CID119217384
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid
SMILESCC(CC(=O)NC1(CC(=O)O)CCC1)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-12(13-6-3-2-4-7-13)10-14(18)17-16(8-5-9-16)11-15(19)20/h2-4,6-7,12H,5,8-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyJLNMZDPJXQJMTA-UHFFFAOYSA-N
XLogP2.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-phenylbutanoylamino)oxan-4-yl]acetic acid
CID 119214884
2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid
CID 64672590
3-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide
CID 115748794
2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid
CID 114873756
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
CID 110626464
2-[1-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopentyl]acetic acid
CID 64701118
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid
CID 81080778
2-[1-[[2-(2-methylphenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64670407
2-[1-[(2-phenoxyacetyl)amino]cyclopentyl]acetic acid
CID 64673162
2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid
CID 79845796

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid (CID 119217384) is 2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid is CC(CC(=O)NC1(CC(=O)O)CCC1)c1ccccc1.
What is the InChIKey of 2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid?
The InChIKey is JLNMZDPJXQJMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(13-6-3-2-4-7-13)10-14(18)17-16(8-5-9-16)11-15(19)20/h2-4,6-7,12H,5,8-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid?
2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 119217384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).