2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid

C16H19NO3 — CID 79846404

IUPAC2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C2(c3ccccc3)CC2)CCC1
InChIInChI=1S/C16H19NO3/c18-13(19)11-15(7-4-8-15)17-14(20)16(9-10-16)12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,17,20)(H,18,19)
InChIKeyACWXTOZCTGQNOA-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.23
Rot. Bonds5

About 2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid

2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid (PubChem CID 79846404) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid
PubChem CID79846404
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C2(c3ccccc3)CC2)CCC1
InChIInChI=1S/C16H19NO3/c18-13(19)11-15(7-4-8-15)17-14(20)16(9-10-16)12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,17,20)(H,18,19)
InChIKeyACWXTOZCTGQNOA-UHFFFAOYSA-N
XLogP2.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide
CID 62521476
N-[1-(aminomethyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide
CID 63753599
N-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide
CID 114303546
N-(cyclopropylmethyl)-1-phenylcyclobutane-1-carboxamide
CID 34832176
N-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide
CID 106297128
1-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 43360266
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
2-[1-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]acetic acid
CID 79851305
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160
2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid
CID 79845796
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid (CID 79846404) is 2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)C2(c3ccccc3)CC2)CCC1.
What is the InChIKey of 2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is ACWXTOZCTGQNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-13(19)11-15(7-4-8-15)17-14(20)16(9-10-16)12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,17,20)(H,18,19).
What are the key properties of 2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79846404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).