(1-propan-2-ylcyclopentyl) 3-amino-2,2,3-trimethylbutanoate

C15H29NO2 — CID 156556286

IUPAC(1-propan-2-ylcyclopentyl) 3-amino-2,2,3-trimethylbutanoate
SMILESCC(C)C1(OC(=O)C(C)(C)C(C)(C)N)CCCC1
InChIInChI=1S/C15H29NO2/c1-11(2)15(9-7-8-10-15)18-12(17)13(3,4)14(5,6)16/h11H,7-10,16H2,1-6H3
InChIKeyHHNGMCJYNLXWKU-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.26
Rot. Bonds4

About (1-propan-2-ylcyclopentyl) 3-amino-2,2,3-trimethylbutanoate

(1-propan-2-ylcyclopentyl) 3-amino-2,2,3-trimethylbutanoate (PubChem CID 156556286) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (1-propan-2-ylcyclopentyl) 3-amino-2,2,3-trimethylbutanoate.

Molecular Properties

Compound Name(1-propan-2-ylcyclopentyl) 3-amino-2,2,3-trimethylbutanoate
PubChem CID156556286
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(1-propan-2-ylcyclopentyl) 3-amino-2,2,3-trimethylbutanoate
SMILESCC(C)C1(OC(=O)C(C)(C)C(C)(C)N)CCCC1
InChIInChI=1S/C15H29NO2/c1-11(2)15(9-7-8-10-15)18-12(17)13(3,4)14(5,6)16/h11H,7-10,16H2,1-6H3
InChIKeyHHNGMCJYNLXWKU-UHFFFAOYSA-N
XLogP3.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylcyclopentyl) 3-amino-2,2,3-trimethylbutanoate?
The IUPAC name of (1-propan-2-ylcyclopentyl) 3-amino-2,2,3-trimethylbutanoate (CID 156556286) is (1-propan-2-ylcyclopentyl) 3-amino-2,2,3-trimethylbutanoate.
What is the SMILES notation for (1-propan-2-ylcyclopentyl) 3-amino-2,2,3-trimethylbutanoate?
The canonical SMILES for (1-propan-2-ylcyclopentyl) 3-amino-2,2,3-trimethylbutanoate is CC(C)C1(OC(=O)C(C)(C)C(C)(C)N)CCCC1.
What is the InChIKey of (1-propan-2-ylcyclopentyl) 3-amino-2,2,3-trimethylbutanoate?
The InChIKey is HHNGMCJYNLXWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-11(2)15(9-7-8-10-15)18-12(17)13(3,4)14(5,6)16/h11H,7-10,16H2,1-6H3.
What are the key properties of (1-propan-2-ylcyclopentyl) 3-amino-2,2,3-trimethylbutanoate?
(1-propan-2-ylcyclopentyl) 3-amino-2,2,3-trimethylbutanoate has a molecular weight of 255.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylcyclopentyl) 3-amino-2,2,3-trimethylbutanoate is sourced from PubChem (CID 156556286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).