3-[amino(cyclobutyl)methyl]benzoic acid

C12H15NO2 — CID 105457514

IUPAC3-[amino(cyclobutyl)methyl]benzoic acid
SMILESNC(c1cccc(C(=O)O)c1)C1CCC1
InChIInChI=1S/C12H15NO2/c13-11(8-3-1-4-8)9-5-2-6-10(7-9)12(14)15/h2,5-8,11H,1,3-4,13H2,(H,14,15)
InChIKeyUDOJQQOEUJFPNE-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.18
Rot. Bonds3

About 3-[amino(cyclobutyl)methyl]benzoic acid

3-[amino(cyclobutyl)methyl]benzoic acid (PubChem CID 105457514) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[amino(cyclobutyl)methyl]benzoic acid.

Molecular Properties

Compound Name3-[amino(cyclobutyl)methyl]benzoic acid
PubChem CID105457514
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-[amino(cyclobutyl)methyl]benzoic acid
SMILESNC(c1cccc(C(=O)O)c1)C1CCC1
InChIInChI=1S/C12H15NO2/c13-11(8-3-1-4-8)9-5-2-6-10(7-9)12(14)15/h2,5-8,11H,1,3-4,13H2,(H,14,15)
InChIKeyUDOJQQOEUJFPNE-UHFFFAOYSA-N
XLogP2.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[amino(cyclopentyl)methyl]benzoate
CID 105493090
3-[cyclobutyl(methylamino)methyl]benzoic acid
CID 116953914
3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
CID 171218060
4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride
CID 171198147
(S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride
CID 171234225
3-[hydroxy-(1-methylpiperidin-3-yl)methyl]benzoic acid
CID 83856040
3-[hydroxy(thian-4-yl)methyl]benzoic acid
CID 90036409
(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171218741
(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride
CID 171211996
3-[amino(cyclohexyl)methyl]phenol
CID 105457850
(R)-cyclobutyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199154
(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206809

Frequently Asked Questions

What is the IUPAC name of 3-[amino(cyclobutyl)methyl]benzoic acid?
The IUPAC name of 3-[amino(cyclobutyl)methyl]benzoic acid (CID 105457514) is 3-[amino(cyclobutyl)methyl]benzoic acid.
What is the SMILES notation for 3-[amino(cyclobutyl)methyl]benzoic acid?
The canonical SMILES for 3-[amino(cyclobutyl)methyl]benzoic acid is NC(c1cccc(C(=O)O)c1)C1CCC1.
What is the InChIKey of 3-[amino(cyclobutyl)methyl]benzoic acid?
The InChIKey is UDOJQQOEUJFPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-11(8-3-1-4-8)9-5-2-6-10(7-9)12(14)15/h2,5-8,11H,1,3-4,13H2,(H,14,15).
What are the key properties of 3-[amino(cyclobutyl)methyl]benzoic acid?
3-[amino(cyclobutyl)methyl]benzoic acid has a molecular weight of 205.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(cyclobutyl)methyl]benzoic acid is sourced from PubChem (CID 105457514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).