methyl 2-amino-5-(cyclopropylamino)benzoate

C11H14N2O2 — CID 61311715

IUPACmethyl 2-amino-5-(cyclopropylamino)benzoate
SMILESCOC(=O)c1cc(NC2CC2)ccc1N
InChIInChI=1S/C11H14N2O2/c1-15-11(14)9-6-8(4-5-10(9)12)13-7-2-3-7/h4-7,13H,2-3,12H2,1H3
InChIKeyLHJIJAYHVFQUIM-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.63
Rot. Bonds3

About methyl 2-amino-5-(cyclopropylamino)benzoate

methyl 2-amino-5-(cyclopropylamino)benzoate (PubChem CID 61311715) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is methyl 2-amino-5-(cyclopropylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(cyclopropylamino)benzoate
PubChem CID61311715
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Namemethyl 2-amino-5-(cyclopropylamino)benzoate
SMILESCOC(=O)c1cc(NC2CC2)ccc1N
InChIInChI=1S/C11H14N2O2/c1-15-11(14)9-6-8(4-5-10(9)12)13-7-2-3-7/h4-7,13H,2-3,12H2,1H3
InChIKeyLHJIJAYHVFQUIM-UHFFFAOYSA-N
XLogP1.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-5-(cycloheptylamino)benzoate
CID 61305877
methyl 2-amino-5-[(3,5-dimethylcyclohexyl)amino]benzoate
CID 64731768
methyl 5-[(4-aminocyclohexyl)amino]-2-fluorobenzoate
CID 79730467
methyl 2-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)benzoate
CID 61307614
methyl 2-chloro-5-(cyclopentylamino)benzoate
CID 43672677
methyl 2-fluoro-5-[(4-hydroxycyclohexyl)amino]benzoate
CID 106593918
2-amino-5-(cyclooctylamino)benzoic acid
CID 60989029
2-amino-5-[(4-methylcycloheptyl)amino]benzamide
CID 114101707
methyl 2-amino-5-(3,4-difluoroanilino)benzoate
CID 61307073
methyl 2-amino-5-(2,4,6-trimethylanilino)benzoate
CID 63422225
methyl 2-amino-5-[(1-methylcyclopentyl)amino]benzoate
CID 64688080
ethyl 2-amino-5-[(1-methylpyrrolidin-3-yl)amino]benzoate
CID 61465111

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(cyclopropylamino)benzoate?
The IUPAC name of methyl 2-amino-5-(cyclopropylamino)benzoate (CID 61311715) is methyl 2-amino-5-(cyclopropylamino)benzoate.
What is the SMILES notation for methyl 2-amino-5-(cyclopropylamino)benzoate?
The canonical SMILES for methyl 2-amino-5-(cyclopropylamino)benzoate is COC(=O)c1cc(NC2CC2)ccc1N.
What is the InChIKey of methyl 2-amino-5-(cyclopropylamino)benzoate?
The InChIKey is LHJIJAYHVFQUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-11(14)9-6-8(4-5-10(9)12)13-7-2-3-7/h4-7,13H,2-3,12H2,1H3.
What are the key properties of methyl 2-amino-5-(cyclopropylamino)benzoate?
methyl 2-amino-5-(cyclopropylamino)benzoate has a molecular weight of 206.25 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(cyclopropylamino)benzoate is sourced from PubChem (CID 61311715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).