methyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride

C11H22ClNO2 — CID 20846518

IUPACmethyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride
SMILESCOC(=O)CCN1CCCCCC1C.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-10-6-4-3-5-8-12(10)9-7-11(13)14-2;/h10H,3-9H2,1-2H3;1H
InChIKeyOEHFUNHMQIROKA-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.24
Rot. Bonds3

About methyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride

methyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride (PubChem CID 20846518) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is methyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride
PubChem CID20846518
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Namemethyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride
SMILESCOC(=O)CCN1CCCCCC1C.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-10-6-4-3-5-8-12(10)9-7-11(13)14-2;/h10H,3-9H2,1-2H3;1H
InChIKeyOEHFUNHMQIROKA-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride 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-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
CID 43174199
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454
methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate
CID 51697486
hydrazinyl 3-(2-methylpyrrolidin-1-yl)propanoate
CID 66339308
3-(2-methylpiperidin-1-yl)propanehydrazide
CID 60676133
methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate
CID 14810577
methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061
2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid
CID 52983761
methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 62011671
methyl 3-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanoate
CID 79544027
3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215711
2-methyl-1-pentylazepane
CID 134994557

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride?
The IUPAC name of methyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride (CID 20846518) is methyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride.
What is the SMILES notation for methyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride?
The canonical SMILES for methyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride is COC(=O)CCN1CCCCCC1C.Cl.
What is the InChIKey of methyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride?
The InChIKey is OEHFUNHMQIROKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.ClH/c1-10-6-4-3-5-8-12(10)9-7-11(13)14-2;/h10H,3-9H2,1-2H3;1H.
What are the key properties of methyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride?
methyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride has a molecular weight of 235.75 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride is sourced from PubChem (CID 20846518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).