cyclopentylmethyl 2-amino-3,3-dimethylbutanoate

C12H23NO2 — CID 66321580

IUPACcyclopentylmethyl 2-amino-3,3-dimethylbutanoate
SMILESCC(C)(C)C(N)C(=O)OCC1CCCC1
InChIInChI=1S/C12H23NO2/c1-12(2,3)10(13)11(14)15-8-9-6-4-5-7-9/h9-10H,4-8,13H2,1-3H3
InChIKeyZVHSIOYEUKGEQW-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.09
Rot. Bonds3

About cyclopentylmethyl 2-amino-3,3-dimethylbutanoate

cyclopentylmethyl 2-amino-3,3-dimethylbutanoate (PubChem CID 66321580) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is cyclopentylmethyl 2-amino-3,3-dimethylbutanoate.

Molecular Properties

Compound Namecyclopentylmethyl 2-amino-3,3-dimethylbutanoate
PubChem CID66321580
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namecyclopentylmethyl 2-amino-3,3-dimethylbutanoate
SMILESCC(C)(C)C(N)C(=O)OCC1CCCC1
InChIInChI=1S/C12H23NO2/c1-12(2,3)10(13)11(14)15-8-9-6-4-5-7-9/h9-10H,4-8,13H2,1-3H3
InChIKeyZVHSIOYEUKGEQW-UHFFFAOYSA-N
XLogP2.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 2-amino-3,3-dimethylbutanoate?
The IUPAC name of cyclopentylmethyl 2-amino-3,3-dimethylbutanoate (CID 66321580) is cyclopentylmethyl 2-amino-3,3-dimethylbutanoate.
What is the SMILES notation for cyclopentylmethyl 2-amino-3,3-dimethylbutanoate?
The canonical SMILES for cyclopentylmethyl 2-amino-3,3-dimethylbutanoate is CC(C)(C)C(N)C(=O)OCC1CCCC1.
What is the InChIKey of cyclopentylmethyl 2-amino-3,3-dimethylbutanoate?
The InChIKey is ZVHSIOYEUKGEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,3)10(13)11(14)15-8-9-6-4-5-7-9/h9-10H,4-8,13H2,1-3H3.
What are the key properties of cyclopentylmethyl 2-amino-3,3-dimethylbutanoate?
cyclopentylmethyl 2-amino-3,3-dimethylbutanoate has a molecular weight of 213.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 2-amino-3,3-dimethylbutanoate is sourced from PubChem (CID 66321580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).