methyl 3-amino-3-cyclopropylpropanoate;hydrochloride

C7H14ClNO2 — CID 71755746

IUPACmethyl 3-amino-3-cyclopropylpropanoate;hydrochloride
SMILESCOC(=O)CC(N)C1CC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-10-7(9)4-6(8)5-2-3-5;/h5-6H,2-4,8H2,1H3;1H
InChIKeyFECZFNCUASNHQU-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.71
Rot. Bonds3

About methyl 3-amino-3-cyclopropylpropanoate;hydrochloride

methyl 3-amino-3-cyclopropylpropanoate;hydrochloride (PubChem CID 71755746) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is methyl 3-amino-3-cyclopropylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-amino-3-cyclopropylpropanoate;hydrochloride
PubChem CID71755746
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Namemethyl 3-amino-3-cyclopropylpropanoate;hydrochloride
SMILESCOC(=O)CC(N)C1CC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-10-7(9)4-6(8)5-2-3-5;/h5-6H,2-4,8H2,1H3;1H
InChIKeyFECZFNCUASNHQU-UHFFFAOYSA-N
XLogP0.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-amino-3-cyclopropylpropanoate;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 (3S)-3-amino-3-(3-methylcyclohexyl)propanoate
CID 104941132
methyl (4R)-4-amino-4-cyclopropylbutanoate
CID 169118998
ethoxycarbonyl 3-amino-3-cyclopropylpropanoate
CID 174865263
2-(3-methoxypropoxy)ethyl 3-amino-3-cyclopropylpropanoate
CID 103178767
3-amino-3-cyclopropylpropanoic acid;hydrochloride
CID 155887796
methyl 3-cyclopropyl-3-methoxypropanoate
CID 10313241
methyl 3,3-diaminopropanoate;hydrochloride
CID 140507920
2-methylpentyl 3-amino-3-cyclopropylpropanoate
CID 103284230
methyl (3S)-3-aminobutanoate;hydrochloride
CID 53487346
methyl 3-amino-3-hydroxypropanoate;hydrochloride
CID 87417987
methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate
CID 115301229
methyl 3-amino-3-chloropropanoate;hydrochloride
CID 119095933

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-3-cyclopropylpropanoate;hydrochloride?
The IUPAC name of methyl 3-amino-3-cyclopropylpropanoate;hydrochloride (CID 71755746) is methyl 3-amino-3-cyclopropylpropanoate;hydrochloride.
What is the SMILES notation for methyl 3-amino-3-cyclopropylpropanoate;hydrochloride?
The canonical SMILES for methyl 3-amino-3-cyclopropylpropanoate;hydrochloride is COC(=O)CC(N)C1CC1.Cl.
What is the InChIKey of methyl 3-amino-3-cyclopropylpropanoate;hydrochloride?
The InChIKey is FECZFNCUASNHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-10-7(9)4-6(8)5-2-3-5;/h5-6H,2-4,8H2,1H3;1H.
What are the key properties of methyl 3-amino-3-cyclopropylpropanoate;hydrochloride?
methyl 3-amino-3-cyclopropylpropanoate;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-3-cyclopropylpropanoate;hydrochloride is sourced from PubChem (CID 71755746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).