cyclopentyl 2-aminobutanoate;hydrochloride

C9H18ClNO2 — CID 175315314

IUPACcyclopentyl 2-aminobutanoate;hydrochloride
SMILESCCC(N)C(=O)OC1CCCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-2-8(10)9(11)12-7-5-3-4-6-7;/h7-8H,2-6,10H2,1H3;1H
InChIKeyZRWZZWHWZBIXRS-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.63
Rot. Bonds3

About cyclopentyl 2-aminobutanoate;hydrochloride

cyclopentyl 2-aminobutanoate;hydrochloride (PubChem CID 175315314) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is cyclopentyl 2-aminobutanoate;hydrochloride.

Molecular Properties

Compound Namecyclopentyl 2-aminobutanoate;hydrochloride
PubChem CID175315314
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Namecyclopentyl 2-aminobutanoate;hydrochloride
SMILESCCC(N)C(=O)OC1CCCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-2-8(10)9(11)12-7-5-3-4-6-7;/h7-8H,2-6,10H2,1H3;1H
InChIKeyZRWZZWHWZBIXRS-UHFFFAOYSA-N
XLogP1.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl 2-aminobutanoate;molecular hydrogen
CID 143574438
cyclopentyl 2-aminopentanoate
CID 61278203
cyclopentyl (2S)-2-amino-3-methoxypropanoate
CID 122538889
cyclopentyl 2-amino-3-hydroxypropanoate
CID 61279213
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
cyclohexyl 2,4-diamino-4-oxobutanoate
CID 22005850
cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 67692396
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
dicyclohexyl 2-aminobutanedioate chloride
CID 53312802
cyclohexyl 2-(aminomethyl)butanoate
CID 65220233
cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 54480153
cyclopropyl 2-(2-aminobutanoylamino)propanoate
CID 91262723

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-aminobutanoate;hydrochloride?
The IUPAC name of cyclopentyl 2-aminobutanoate;hydrochloride (CID 175315314) is cyclopentyl 2-aminobutanoate;hydrochloride.
What is the SMILES notation for cyclopentyl 2-aminobutanoate;hydrochloride?
The canonical SMILES for cyclopentyl 2-aminobutanoate;hydrochloride is CCC(N)C(=O)OC1CCCC1.Cl.
What is the InChIKey of cyclopentyl 2-aminobutanoate;hydrochloride?
The InChIKey is ZRWZZWHWZBIXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-2-8(10)9(11)12-7-5-3-4-6-7;/h7-8H,2-6,10H2,1H3;1H.
What are the key properties of cyclopentyl 2-aminobutanoate;hydrochloride?
cyclopentyl 2-aminobutanoate;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-aminobutanoate;hydrochloride is sourced from PubChem (CID 175315314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).