cyclopentylmethyl 2-aminobutanoate

C10H19NO2 — CID 66322645

IUPACcyclopentylmethyl 2-aminobutanoate
SMILESCCC(N)C(=O)OCC1CCCC1
InChIInChI=1S/C10H19NO2/c1-2-9(11)10(12)13-7-8-5-3-4-6-8/h8-9H,2-7,11H2,1H3
InChIKeyJGOJCYJONQUVAH-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds4

About cyclopentylmethyl 2-aminobutanoate

cyclopentylmethyl 2-aminobutanoate (PubChem CID 66322645) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is cyclopentylmethyl 2-aminobutanoate.

Molecular Properties

Compound Namecyclopentylmethyl 2-aminobutanoate
PubChem CID66322645
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namecyclopentylmethyl 2-aminobutanoate
SMILESCCC(N)C(=O)OCC1CCCC1
InChIInChI=1S/C10H19NO2/c1-2-9(11)10(12)13-7-8-5-3-4-6-8/h8-9H,2-7,11H2,1H3
InChIKeyJGOJCYJONQUVAH-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentylmethyl (2S)-2-aminopentanoate
CID 107565785
cyclohexylmethyl (2R)-2-aminopentanoate
CID 107565760
cyclohexylmethyl 2-iodobutanoate
CID 137452878
1-O-(cyclopentylmethyl) 3-O-ethyl 2-ethylpropanedioate
CID 174749024
bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
cyclopentylmethyl 2-methylpropanoate
CID 21063892
cyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 66322213
cyclopropylmethyl (2S)-2-aminopentanoate
CID 107565685
cyclohexylmethyl 2-(aminomethyl)butanoate
CID 65218100
cyclopentylmethyl 2-amino-3,3-dimethylbutanoate
CID 66321580
cyclohexylmethyl 2-amino-3-methylbutanoate
CID 62383261
2-cyclopropylethyl 2-aminobutanoate
CID 106202655

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 2-aminobutanoate?
The IUPAC name of cyclopentylmethyl 2-aminobutanoate (CID 66322645) is cyclopentylmethyl 2-aminobutanoate.
What is the SMILES notation for cyclopentylmethyl 2-aminobutanoate?
The canonical SMILES for cyclopentylmethyl 2-aminobutanoate is CCC(N)C(=O)OCC1CCCC1.
What is the InChIKey of cyclopentylmethyl 2-aminobutanoate?
The InChIKey is JGOJCYJONQUVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-9(11)10(12)13-7-8-5-3-4-6-8/h8-9H,2-7,11H2,1H3.
What are the key properties of cyclopentylmethyl 2-aminobutanoate?
cyclopentylmethyl 2-aminobutanoate has a molecular weight of 185.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 2-aminobutanoate is sourced from PubChem (CID 66322645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).