methyl 3-[(1R)-1-aminopropyl]benzoate

C11H15NO2 — CID 55253997

IUPACmethyl 3-[(1R)-1-aminopropyl]benzoate
SMILESCC[C@@H](N)c1cccc(C(=O)OC)c1
InChIInChI=1S/C11H15NO2/c1-3-10(12)8-5-4-6-9(7-8)11(13)14-2/h4-7,10H,3,12H2,1-2H3/t10-/m1/s1
InChIKeyWXEFVMCTJWUBTP-SNVBAGLBSA-N
MW193.25 g/mol
LogP1.88
Rot. Bonds3

About methyl 3-[(1R)-1-aminopropyl]benzoate

methyl 3-[(1R)-1-aminopropyl]benzoate (PubChem CID 55253997) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 3-[(1R)-1-aminopropyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(1R)-1-aminopropyl]benzoate
PubChem CID55253997
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 3-[(1R)-1-aminopropyl]benzoate
SMILESCC[C@@H](N)c1cccc(C(=O)OC)c1
InChIInChI=1S/C11H15NO2/c1-3-10(12)8-5-4-6-9(7-8)11(13)14-2/h4-7,10H,3,12H2,1-2H3/t10-/m1/s1
InChIKeyWXEFVMCTJWUBTP-SNVBAGLBSA-N
XLogP1.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-[(1R)-1-aminopropyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(1R)-1-aminobutyl]benzoate;hydrochloride
CID 171213742
methyl 3-[(1R)-1-amino-3-methylbutyl]benzoate
CID 171213747
methyl 3-[(1S)-1-amino-3-fluoropropyl]benzoate
CID 171233380
methyl 3-[(1R)-1-amino-3-fluoropropyl]benzoate
CID 171213755
tert-butyl 3-[(1R)-1-aminopropyl]benzoate
CID 66935281
methyl 3-[(1S,2R)-1-amino-2-hydroxybutyl]benzoate;hydrochloride
CID 171270789
methyl 3-[(1R)-1-amino-4-methylpentyl]benzoate;hydrochloride
CID 171213775
methyl 3-[(1S)-1-amino-2-cyanoethyl]benzoate;hydrochloride
CID 171260170
methyl 3-[(1S)-1-amino-3,3,3-trifluoropropyl]benzoate;hydrochloride
CID 171233377
methyl 3-[(1S)-1-aminoethyl]benzoate;hydrochloride
CID 74889916
methyl 3-[amino(iodo)methyl]benzoate
CID 140522575
methyl 3-[(1S)-1-amino-2-methoxy-2-oxoethyl]benzoate
CID 171213776

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1R)-1-aminopropyl]benzoate?
The IUPAC name of methyl 3-[(1R)-1-aminopropyl]benzoate (CID 55253997) is methyl 3-[(1R)-1-aminopropyl]benzoate.
What is the SMILES notation for methyl 3-[(1R)-1-aminopropyl]benzoate?
The canonical SMILES for methyl 3-[(1R)-1-aminopropyl]benzoate is CC[C@@H](N)c1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[(1R)-1-aminopropyl]benzoate?
The InChIKey is WXEFVMCTJWUBTP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-10(12)8-5-4-6-9(7-8)11(13)14-2/h4-7,10H,3,12H2,1-2H3/t10-/m1/s1.
What are the key properties of methyl 3-[(1R)-1-aminopropyl]benzoate?
methyl 3-[(1R)-1-aminopropyl]benzoate has a molecular weight of 193.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1R)-1-aminopropyl]benzoate is sourced from PubChem (CID 55253997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).