benzyl (6S)-5-azaspiro[2.4]heptane-6-carboxylate;hydrochloride

C14H18ClNO2 — CID 155943968

IUPACbenzyl (6S)-5-azaspiro[2.4]heptane-6-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)[C@@H]1CC2(CC2)CN1
InChIInChI=1S/C14H17NO2.ClH/c16-13(12-8-14(6-7-14)10-15-12)17-9-11-4-2-1-3-5-11;/h1-5,12,15H,6-10H2;1H/t12-;/m0./s1
InChIKeyGALLHNKVQBDUBX-YDALLXLXSA-N
MW267.76 g/mol
LogP2.29
Rot. Bonds3

About benzyl (6S)-5-azaspiro[2.4]heptane-6-carboxylate;hydrochloride

benzyl (6S)-5-azaspiro[2.4]heptane-6-carboxylate;hydrochloride (PubChem CID 155943968) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is benzyl (6S)-5-azaspiro[2.4]heptane-6-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl (6S)-5-azaspiro[2.4]heptane-6-carboxylate;hydrochloride
PubChem CID155943968
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Namebenzyl (6S)-5-azaspiro[2.4]heptane-6-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)[C@@H]1CC2(CC2)CN1
InChIInChI=1S/C14H17NO2.ClH/c16-13(12-8-14(6-7-14)10-15-12)17-9-11-4-2-1-3-5-11;/h1-5,12,15H,6-10H2;1H/t12-;/m0./s1
InChIKeyGALLHNKVQBDUBX-YDALLXLXSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3084256
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CID 108474
Benzyl 6-methylpiperidine-2-carboxylate
CID 2834681
Proline benzyl ester
CID 99767
Benzyl 5-oxoprolinate
CID 2381219
benzyl (2R)-pyrrolidine-2-carboxylate hydrochloride
CID 22827650
Cyclopenta(b)pyrrole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride (1:1), (2S,3aS,6aS)-
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Benzyl L-prolinate
CID 736155
Proline benzyl ester hydrochloride
CID 2733413
1H-Indole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride (1:1), (2S,3aR,7aS)-
CID 11645051
benzyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate
CID 10149261
6-benzyl 5-tert-butyl (6S)-5-azaspiro(2.4)heptane-5,6-dicarboxylate
CID 25324051

Frequently Asked Questions

What is the IUPAC name of benzyl (6S)-5-azaspiro[2.4]heptane-6-carboxylate;hydrochloride?
The IUPAC name of benzyl (6S)-5-azaspiro[2.4]heptane-6-carboxylate;hydrochloride (CID 155943968) is benzyl (6S)-5-azaspiro[2.4]heptane-6-carboxylate;hydrochloride.
What is the SMILES notation for benzyl (6S)-5-azaspiro[2.4]heptane-6-carboxylate;hydrochloride?
The canonical SMILES for benzyl (6S)-5-azaspiro[2.4]heptane-6-carboxylate;hydrochloride is Cl.O=C(OCc1ccccc1)[C@@H]1CC2(CC2)CN1.
What is the InChIKey of benzyl (6S)-5-azaspiro[2.4]heptane-6-carboxylate;hydrochloride?
The InChIKey is GALLHNKVQBDUBX-YDALLXLXSA-N. The full InChI is InChI=1S/C14H17NO2.ClH/c16-13(12-8-14(6-7-14)10-15-12)17-9-11-4-2-1-3-5-11;/h1-5,12,15H,6-10H2;1H/t12-;/m0./s1.
What are the key properties of benzyl (6S)-5-azaspiro[2.4]heptane-6-carboxylate;hydrochloride?
benzyl (6S)-5-azaspiro[2.4]heptane-6-carboxylate;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (6S)-5-azaspiro[2.4]heptane-6-carboxylate;hydrochloride is sourced from PubChem (CID 155943968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).