trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride

C8H16ClNO2 — CID 91754378

IUPACtrans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@H]1CCCC[C@@H]1N.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-11-8(10)6-4-2-3-5-7(6)9;/h6-7H,2-5,9H2,1H3;1H/t6-,7-;/m0./s1
InChIKeyPYKBWUZZPSEGLC-LEUCUCNGSA-N
MW193.67 g/mol
LogP1.10
Rot. Bonds1

About trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride

trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride (PubChem CID 91754378) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametrans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
PubChem CID91754378
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Nametrans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@H]1CCCC[C@@H]1N.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-11-8(10)6-4-2-3-5-7(6)9;/h6-7H,2-5,9H2,1H3;1H/t6-,7-;/m0./s1
InChIKeyPYKBWUZZPSEGLC-LEUCUCNGSA-N
XLogP1.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-amino-2-methoxycyclohexane-1-carboxylate
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ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride
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carbamoyl 2-aminocyclohexane-1-carboxylate
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methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide
CID 173135455
cyclohexyl 2-aminocyclohexane-1-carboxylate
CID 64816672
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CID 86346362
(3-methoxycyclohexyl) 2-aminocyclohexane-1-carboxylate
CID 64818037
trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate
CID 84716638
1-(2-aminocyclohexyl)ethanone;ethane
CID 176999507
trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride
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trans-dimethyl (1S,3S)-2-hydroxycyclohexane-1,3-dicarboxylate
CID 6932414

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride (CID 91754378) is trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride is COC(=O)[C@H]1CCCC[C@@H]1N.Cl.
What is the InChIKey of trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride?
The InChIKey is PYKBWUZZPSEGLC-LEUCUCNGSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-11-8(10)6-4-2-3-5-7(6)9;/h6-7H,2-5,9H2,1H3;1H/t6-,7-;/m0./s1.
What are the key properties of trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride?
trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 91754378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).