3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid

C14H18N2O3 — CID 107272559

IUPAC3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1NC(=O)NC1CCC1
InChIInChI=1S/C14H18N2O3/c17-13(18)9-8-10-4-1-2-7-12(10)16-14(19)15-11-5-3-6-11/h1-2,4,7,11H,3,5-6,8-9H2,(H,17,18)(H2,15,16,19)
InChIKeyAFOZPIPTQGQKEC-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.38
Rot. Bonds5

About 3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid

3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid (PubChem CID 107272559) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid
PubChem CID107272559
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1NC(=O)NC1CCC1
InChIInChI=1S/C14H18N2O3/c17-13(18)9-8-10-4-1-2-7-12(10)16-14(19)15-11-5-3-6-11/h1-2,4,7,11H,3,5-6,8-9H2,(H,17,18)(H2,15,16,19)
InChIKeyAFOZPIPTQGQKEC-UHFFFAOYSA-N
XLogP2.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[(2-methylcyclopentyl)carbamoylamino]phenyl]propanoic acid
CID 107274081
1-cyclopropyl-3-[2-(hydroxymethyl)phenyl]urea
CID 62699685
3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid
CID 107272399
1-cyclobutyl-3-(2-phenylphenyl)urea
CID 115617882
3-[2-(oxane-4-carbonylamino)phenyl]propanoic acid
CID 107272409
N-[2-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 113093681
1-cyclooctyl-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]urea
CID 47997599
1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea
CID 60543205
1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea
CID 116658389
1-(2-bromophenyl)-3-cyclododecylurea
CID 108868750
1-(2-bromophenyl)-3-cycloheptylurea
CID 3671520
2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide
CID 94060517

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid?
The IUPAC name of 3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid (CID 107272559) is 3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid is O=C(O)CCc1ccccc1NC(=O)NC1CCC1.
What is the InChIKey of 3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid?
The InChIKey is AFOZPIPTQGQKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(18)9-8-10-4-1-2-7-12(10)16-14(19)15-11-5-3-6-11/h1-2,4,7,11H,3,5-6,8-9H2,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid?
3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid is sourced from PubChem (CID 107272559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).