ethyl 2-aminospiro[3.3]heptane-2-carboxylate;hydrochloride

C10H18ClNO2 — CID 138039898

IUPACethyl 2-aminospiro[3.3]heptane-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1(N)CC2(CCC2)C1.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-2-13-8(12)10(11)6-9(7-10)4-3-5-9;/h2-7,11H2,1H3;1H
InChIKeySUFUMVCNXOXEJX-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.63
Rot. Bonds2

About ethyl 2-aminospiro[3.3]heptane-2-carboxylate;hydrochloride

ethyl 2-aminospiro[3.3]heptane-2-carboxylate;hydrochloride (PubChem CID 138039898) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is ethyl 2-aminospiro[3.3]heptane-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-aminospiro[3.3]heptane-2-carboxylate;hydrochloride
PubChem CID138039898
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Nameethyl 2-aminospiro[3.3]heptane-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1(N)CC2(CCC2)C1.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-2-13-8(12)10(11)6-9(7-10)4-3-5-9;/h2-7,11H2,1H3;1H
InChIKeySUFUMVCNXOXEJX-UHFFFAOYSA-N
XLogP1.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-aminocyclohexane-1-carboxylate hydrochloride
CID 11241228
Ethyl 2-amino-2-ethyloctanoate
CID 42614433
Ethyl 2-amino-2-methyloctanoate
CID 50987895
Methyl 2-aminospiro(3.3)heptane-2-carboxylate hydrochloride
CID 121207563
Ethyl 2-amino-6,6-difluorospiro(3.3)heptane-2-carboxylate; trifluoroacetic acid
CID 137935615
Methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate hydrochloride
CID 138991482
Ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate hydrochloride
CID 138991548
Methyl 2-amino-6,6-difluorospiro[3.3]heptane-2-carboxylate hydrochloride
CID 139026423
Methyl 2-aminospiro[3.5]nonane-2-carboxylate hydrochloride
CID 146049470
Methyl 2-aminospiro(3.4)octane-2-carboxylate hydrochloride
CID 146108129
Methyl 2-amino-6-methoxyspiro[3.3]heptane-2-carboxylate hydrochloride
CID 155820359
Methyl (2S)-2-amino-3-(1-bicyclo[1.1.1]pentanyl)propanoate hydrochloride
CID 165689442

Frequently Asked Questions

What is the IUPAC name of ethyl 2-aminospiro[3.3]heptane-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-aminospiro[3.3]heptane-2-carboxylate;hydrochloride (CID 138039898) is ethyl 2-aminospiro[3.3]heptane-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-aminospiro[3.3]heptane-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-aminospiro[3.3]heptane-2-carboxylate;hydrochloride is CCOC(=O)C1(N)CC2(CCC2)C1.Cl.
What is the InChIKey of ethyl 2-aminospiro[3.3]heptane-2-carboxylate;hydrochloride?
The InChIKey is SUFUMVCNXOXEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.ClH/c1-2-13-8(12)10(11)6-9(7-10)4-3-5-9;/h2-7,11H2,1H3;1H.
What are the key properties of ethyl 2-aminospiro[3.3]heptane-2-carboxylate;hydrochloride?
ethyl 2-aminospiro[3.3]heptane-2-carboxylate;hydrochloride has a molecular weight of 219.71 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-aminospiro[3.3]heptane-2-carboxylate;hydrochloride is sourced from PubChem (CID 138039898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).