3-(N-(3-methoxycyclobutyl)anilino)propanoic acid

C14H19NO3 — CID 106824286

IUPAC3-(N-(3-methoxycyclobutyl)anilino)propanoic acid
SMILESCOC1CC(N(CCC(=O)O)c2ccccc2)C1
InChIInChI=1S/C14H19NO3/c1-18-13-9-12(10-13)15(8-7-14(16)17)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,17)
InChIKeyHQRZXOLDUZMAJD-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.15
Rot. Bonds6

About 3-(N-(3-methoxycyclobutyl)anilino)propanoic acid

3-(N-(3-methoxycyclobutyl)anilino)propanoic acid (PubChem CID 106824286) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(N-(3-methoxycyclobutyl)anilino)propanoic acid.

Molecular Properties

Compound Name3-(N-(3-methoxycyclobutyl)anilino)propanoic acid
PubChem CID106824286
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(N-(3-methoxycyclobutyl)anilino)propanoic acid
SMILESCOC1CC(N(CCC(=O)O)c2ccccc2)C1
InChIInChI=1S/C14H19NO3/c1-18-13-9-12(10-13)15(8-7-14(16)17)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,17)
InChIKeyHQRZXOLDUZMAJD-UHFFFAOYSA-N
XLogP2.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(N-(1,1-dioxothiolan-3-yl)anilino)propanoic acid
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3-(N-methoxyanilino)propanoic acid
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3-(N-(1-ethylpiperidin-4-yl)-4-methylanilino)propanoic acid
CID 65059499
2-[(3-methoxycyclobutyl)-propan-2-ylamino]acetic acid
CID 106824294
3-[N-(2-methoxypropanoyl)anilino]propanoic acid
CID 113374728
3-(N-cyclopropyl-4-propylsulfonylanilino)propanoic acid
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4-[N-(thian-3-yl)anilino]butanoic acid
CID 65056974
4-(N-(2,4,4-trimethylcyclopentyl)anilino)butanoic acid
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CID 153256212

Frequently Asked Questions

What is the IUPAC name of 3-(N-(3-methoxycyclobutyl)anilino)propanoic acid?
The IUPAC name of 3-(N-(3-methoxycyclobutyl)anilino)propanoic acid (CID 106824286) is 3-(N-(3-methoxycyclobutyl)anilino)propanoic acid.
What is the SMILES notation for 3-(N-(3-methoxycyclobutyl)anilino)propanoic acid?
The canonical SMILES for 3-(N-(3-methoxycyclobutyl)anilino)propanoic acid is COC1CC(N(CCC(=O)O)c2ccccc2)C1.
What is the InChIKey of 3-(N-(3-methoxycyclobutyl)anilino)propanoic acid?
The InChIKey is HQRZXOLDUZMAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-13-9-12(10-13)15(8-7-14(16)17)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,17).
What are the key properties of 3-(N-(3-methoxycyclobutyl)anilino)propanoic acid?
3-(N-(3-methoxycyclobutyl)anilino)propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(3-methoxycyclobutyl)anilino)propanoic acid is sourced from PubChem (CID 106824286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).