cyclopentyl 2-aminobutanoate;molecular hydrogen

C9H19NO2 — CID 143574438

IUPACcyclopentyl 2-aminobutanoate;molecular hydrogen
SMILESCCC(N)C(=O)OC1CCCC1.[H][H]
InChIInChI=1S/C9H17NO2.H2/c1-2-8(10)9(11)12-7-5-3-4-6-7;/h7-8H,2-6,10H2,1H3;1H
InChIKeyKWNHLLXTRYIICM-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.46
Rot. Bonds3

About cyclopentyl 2-aminobutanoate;molecular hydrogen

cyclopentyl 2-aminobutanoate;molecular hydrogen (PubChem CID 143574438) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is cyclopentyl 2-aminobutanoate;molecular hydrogen.

Molecular Properties

Compound Namecyclopentyl 2-aminobutanoate;molecular hydrogen
PubChem CID143574438
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namecyclopentyl 2-aminobutanoate;molecular hydrogen
SMILESCCC(N)C(=O)OC1CCCC1.[H][H]
InChIInChI=1S/C9H17NO2.H2/c1-2-8(10)9(11)12-7-5-3-4-6-7;/h7-8H,2-6,10H2,1H3;1H
InChIKeyKWNHLLXTRYIICM-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl 2-aminobutanoate;hydrochloride
CID 175315314
cyclopentyl 2-aminopentanoate
CID 61278203
cyclopentyl 2-amino-3-hydroxypropanoate
CID 61279213
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
cyclopentyl (2S)-2-amino-3-methoxypropanoate
CID 122538889
cyclohexyl 2,4-diamino-4-oxobutanoate
CID 22005850
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
cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909691
cyclobutyl 2,3-dimethylpentanoate
CID 174713613

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-aminobutanoate;molecular hydrogen?
The IUPAC name of cyclopentyl 2-aminobutanoate;molecular hydrogen (CID 143574438) is cyclopentyl 2-aminobutanoate;molecular hydrogen.
What is the SMILES notation for cyclopentyl 2-aminobutanoate;molecular hydrogen?
The canonical SMILES for cyclopentyl 2-aminobutanoate;molecular hydrogen is CCC(N)C(=O)OC1CCCC1.[H][H].
What is the InChIKey of cyclopentyl 2-aminobutanoate;molecular hydrogen?
The InChIKey is KWNHLLXTRYIICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.H2/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;molecular hydrogen?
cyclopentyl 2-aminobutanoate;molecular hydrogen has a molecular weight of 173.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-aminobutanoate;molecular hydrogen is sourced from PubChem (CID 143574438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).