trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride

C8H16ClNO2 — CID 131632809

IUPACtrans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride
SMILESCl.N[C@H]1CCCCC[C@@H]1C(=O)O
InChIInChI=1S/C8H15NO2.ClH/c9-7-5-3-1-2-4-6(7)8(10)11;/h6-7H,1-5,9H2,(H,10,11);1H/t6-,7-;/m0./s1
InChIKeyKCRZBDJVYOBHIP-LEUCUCNGSA-N
MW193.67 g/mol
LogP1.40
Rot. Bonds1

About trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride

trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride (PubChem CID 131632809) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride
PubChem CID131632809
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Nametrans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride
SMILESCl.N[C@H]1CCCCC[C@@H]1C(=O)O
InChIInChI=1S/C8H15NO2.ClH/c9-7-5-3-1-2-4-6(7)8(10)11;/h6-7H,1-5,9H2,(H,10,11);1H/t6-,7-;/m0./s1
InChIKeyKCRZBDJVYOBHIP-LEUCUCNGSA-N
XLogP1.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide
CID 24751167
trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 56971751
bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride
CID 2725066
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
trans-(1R,2R)-2-aminocycloheptane-1-carboxamide
CID 95970217
(2-aminocycloheptyl)-cyclopropylmethanone
CID 116595315
(2-aminocycloheptyl)-cyclopentylmethanone
CID 116595079
(2-aminocyclohexyl)-cycloheptylmethanone
CID 116580013
2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 64851846
cis-(1S,2R)-2-aminocyclopentane-1-carboxamide;hydrochloride
CID 122236355

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride?
The IUPAC name of trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride (CID 131632809) is trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride?
The canonical SMILES for trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride is Cl.N[C@H]1CCCCC[C@@H]1C(=O)O.
What is the InChIKey of trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride?
The InChIKey is KCRZBDJVYOBHIP-LEUCUCNGSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c9-7-5-3-1-2-4-6(7)8(10)11;/h6-7H,1-5,9H2,(H,10,11);1H/t6-,7-;/m0./s1.
What are the key properties of trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride?
trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 131632809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).