methyl 2-amino-3-cyclopropylpropanoate;hydrochloride

C7H14ClNO2 — CID 66593108

IUPACmethyl 2-amino-3-cyclopropylpropanoate;hydrochloride
SMILESCOC(=O)C(N)CC1CC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-10-7(9)6(8)4-5-2-3-5;/h5-6H,2-4,8H2,1H3;1H
InChIKeyBAFGFLVLZUVHIL-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.71
Rot. Bonds3

About methyl 2-amino-3-cyclopropylpropanoate;hydrochloride

methyl 2-amino-3-cyclopropylpropanoate;hydrochloride (PubChem CID 66593108) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is methyl 2-amino-3-cyclopropylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-cyclopropylpropanoate;hydrochloride
PubChem CID66593108
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Namemethyl 2-amino-3-cyclopropylpropanoate;hydrochloride
SMILESCOC(=O)C(N)CC1CC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-10-7(9)6(8)4-5-2-3-5;/h5-6H,2-4,8H2,1H3;1H
InChIKeyBAFGFLVLZUVHIL-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

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Related Compounds

methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride
CID 137346923
methyl 2-amino-3-(1-methylpiperidin-4-yl)propanoate
CID 83854817
methyl 2-amino-3-(3-bicyclo[3.1.0]hexanyl)propanoate
CID 123162139
tert-butyl (2S)-2-amino-3-cyclopropylpropanoate
CID 12018345
methyl (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoate;hydrochloride
CID 73425474
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
2-amino-3-cyclopropylpropanoic acid
CID 519178
methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate
CID 83981066
methyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride
CID 168869066
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468
(2R)-2-amino-3-cyclopropyl-N-ethylpropanamide
CID 82668057
methyl 2-amino-4-(2-cyclopropylethoxy)butanoate
CID 106204239

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-cyclopropylpropanoate;hydrochloride?
The IUPAC name of methyl 2-amino-3-cyclopropylpropanoate;hydrochloride (CID 66593108) is methyl 2-amino-3-cyclopropylpropanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-3-cyclopropylpropanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-3-cyclopropylpropanoate;hydrochloride is COC(=O)C(N)CC1CC1.Cl.
What is the InChIKey of methyl 2-amino-3-cyclopropylpropanoate;hydrochloride?
The InChIKey is BAFGFLVLZUVHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-10-7(9)6(8)4-5-2-3-5;/h5-6H,2-4,8H2,1H3;1H.
What are the key properties of methyl 2-amino-3-cyclopropylpropanoate;hydrochloride?
methyl 2-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 2-amino-3-cyclopropylpropanoate;hydrochloride is sourced from PubChem (CID 66593108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).