5-amino-2-(cyclobutylmethylamino)benzoic acid

C12H16N2O2 — CID 60989727

IUPAC5-amino-2-(cyclobutylmethylamino)benzoic acid
SMILESNc1ccc(NCC2CCC2)c(C(=O)O)c1
InChIInChI=1S/C12H16N2O2/c13-9-4-5-11(10(6-9)12(15)16)14-7-8-2-1-3-8/h4-6,8,14H,1-3,7,13H2,(H,15,16)
InChIKeyRIMQGHPMTHXALV-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.18
Rot. Bonds4

About 5-amino-2-(cyclobutylmethylamino)benzoic acid

5-amino-2-(cyclobutylmethylamino)benzoic acid (PubChem CID 60989727) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-amino-2-(cyclobutylmethylamino)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(cyclobutylmethylamino)benzoic acid
PubChem CID60989727
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-amino-2-(cyclobutylmethylamino)benzoic acid
SMILESNc1ccc(NCC2CCC2)c(C(=O)O)c1
InChIInChI=1S/C12H16N2O2/c13-9-4-5-11(10(6-9)12(15)16)14-7-8-2-1-3-8/h4-6,8,14H,1-3,7,13H2,(H,15,16)
InChIKeyRIMQGHPMTHXALV-UHFFFAOYSA-N
XLogP2.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(cyclobutylmethylamino)-5-methylbenzoic acid
CID 62514472
5-methyl-2-[(4-methylcyclohexyl)methylamino]benzoic acid
CID 55225101
methyl 5-amino-2-(thian-4-ylmethylamino)benzoate
CID 113488192
ethyl 5-amino-2-(oxan-4-ylmethylamino)benzoate
CID 63705610
5-amino-2-(2-carbamoyloxyethylamino)benzoic acid
CID 83203951
5-amino-2-(2-methoxyethylamino)benzoic acid
CID 60988686
4-amino-2-(2-cyclobutylethoxy)benzoic acid
CID 106203435
5-amino-2-[(1,1-dioxothiolan-2-yl)methylamino]benzamide
CID 81040216
5-amino-2-(cycloheptanecarbonylamino)benzoic acid
CID 63116326
4-amino-3-(cyclohexylmethylamino)benzoic acid
CID 82785208
5-bromo-2-(oxan-3-ylmethylamino)benzoic acid
CID 114895502
4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid
CID 63116323

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclobutylmethylamino)benzoic acid?
The IUPAC name of 5-amino-2-(cyclobutylmethylamino)benzoic acid (CID 60989727) is 5-amino-2-(cyclobutylmethylamino)benzoic acid.
What is the SMILES notation for 5-amino-2-(cyclobutylmethylamino)benzoic acid?
The canonical SMILES for 5-amino-2-(cyclobutylmethylamino)benzoic acid is Nc1ccc(NCC2CCC2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-(cyclobutylmethylamino)benzoic acid?
The InChIKey is RIMQGHPMTHXALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-9-4-5-11(10(6-9)12(15)16)14-7-8-2-1-3-8/h4-6,8,14H,1-3,7,13H2,(H,15,16).
What are the key properties of 5-amino-2-(cyclobutylmethylamino)benzoic acid?
5-amino-2-(cyclobutylmethylamino)benzoic acid has a molecular weight of 220.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclobutylmethylamino)benzoic acid is sourced from PubChem (CID 60989727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).