1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid

C17H21NO3 — CID 115449997

IUPAC1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1cccc(C2(C(=O)NCC3(C(=O)O)CC3)CCC2)c1
InChIInChI=1S/C17H21NO3/c1-12-4-2-5-13(10-12)17(6-3-7-17)14(19)18-11-16(8-9-16)15(20)21/h2,4-5,10H,3,6-9,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyWPUVOERJEZSGBY-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.40
Rot. Bonds5

About 1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449997) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115449997
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1cccc(C2(C(=O)NCC3(C(=O)O)CC3)CCC2)c1
InChIInChI=1S/C17H21NO3/c1-12-4-2-5-13(10-12)17(6-3-7-17)14(19)18-11-16(8-9-16)15(20)21/h2,4-5,10H,3,6-9,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyWPUVOERJEZSGBY-UHFFFAOYSA-N
XLogP2.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825
N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 113238634
N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 65109762
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 119507604
4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid
CID 119170628
methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
4-[[[4-(3-chlorophenyl)oxane-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542936
N-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 103876725
1-[[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 122108599
1-[[2-(3-methylphenyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446754
1-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369485
1-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369835

Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115449997) is 1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid is Cc1cccc(C2(C(=O)NCC3(C(=O)O)CC3)CCC2)c1.
What is the InChIKey of 1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is WPUVOERJEZSGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12-4-2-5-13(10-12)17(6-3-7-17)14(19)18-11-16(8-9-16)15(20)21/h2,4-5,10H,3,6-9,11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).