cycloheptyl 2-aminopropanoate;hydrochloride

C10H20ClNO2 — CID 74957485

IUPACcycloheptyl 2-aminopropanoate;hydrochloride
SMILESCC(N)C(=O)OC1CCCCCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-8(11)10(12)13-9-6-4-2-3-5-7-9;/h8-9H,2-7,11H2,1H3;1H
InChIKeyVKVYYFNYCZYFSM-UHFFFAOYSA-N
MW221.73 g/mol
LogP2.02
Rot. Bonds2

About cycloheptyl 2-aminopropanoate;hydrochloride

cycloheptyl 2-aminopropanoate;hydrochloride (PubChem CID 74957485) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is cycloheptyl 2-aminopropanoate;hydrochloride.

Molecular Properties

Compound Namecycloheptyl 2-aminopropanoate;hydrochloride
PubChem CID74957485
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Namecycloheptyl 2-aminopropanoate;hydrochloride
SMILESCC(N)C(=O)OC1CCCCCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-8(11)10(12)13-9-6-4-2-3-5-7-9;/h8-9H,2-7,11H2,1H3;1H
InChIKeyVKVYYFNYCZYFSM-UHFFFAOYSA-N
XLogP2.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl 2-aminopropanoate;ethene
CID 144654176
cyclobutyl (2S)-2-aminopropanoate
CID 45086620
[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium
CID 86325429
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
cyclopentyl (2S)-2-amino-2-cyclopropylacetate
CID 94554301
cyclopentyl 2-aminobutanoate;hydrochloride
CID 175315314
cycloheptyl 3-amino-2-methylpropanoate
CID 62668819
cyclohexyl 2-(propan-2-ylamino)propanoate
CID 19362177
cyclopentyl (2S)-2-amino-3-methoxypropanoate
CID 122538889
(4-tert-butylcyclohexyl) 2-aminopropanoate
CID 134275892
cyclohexyl 3-iodo-2-methylpropanoate
CID 155283171
(3-ethylcyclohexyl) (2R)-2-aminopropanoate
CID 78967083

Frequently Asked Questions

What is the IUPAC name of cycloheptyl 2-aminopropanoate;hydrochloride?
The IUPAC name of cycloheptyl 2-aminopropanoate;hydrochloride (CID 74957485) is cycloheptyl 2-aminopropanoate;hydrochloride.
What is the SMILES notation for cycloheptyl 2-aminopropanoate;hydrochloride?
The canonical SMILES for cycloheptyl 2-aminopropanoate;hydrochloride is CC(N)C(=O)OC1CCCCCC1.Cl.
What is the InChIKey of cycloheptyl 2-aminopropanoate;hydrochloride?
The InChIKey is VKVYYFNYCZYFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-8(11)10(12)13-9-6-4-2-3-5-7-9;/h8-9H,2-7,11H2,1H3;1H.
What are the key properties of cycloheptyl 2-aminopropanoate;hydrochloride?
cycloheptyl 2-aminopropanoate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl 2-aminopropanoate;hydrochloride is sourced from PubChem (CID 74957485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).