2-methylpentyl (2R)-2-amino-4-methylpentanoate

C12H25NO2 — CID 103284088

IUPAC2-methylpentyl (2R)-2-amino-4-methylpentanoate
SMILESCCCC(C)COC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C12H25NO2/c1-5-6-10(4)8-15-12(14)11(13)7-9(2)3/h9-11H,5-8,13H2,1-4H3/t10?,11-/m1/s1
InChIKeyPFYYCMGUYWLYPW-RRKGBCIJSA-N
MW215.34 g/mol
LogP2.34
Rot. Bonds7

About 2-methylpentyl (2R)-2-amino-4-methylpentanoate

2-methylpentyl (2R)-2-amino-4-methylpentanoate (PubChem CID 103284088) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methylpentyl (2R)-2-amino-4-methylpentanoate.

Molecular Properties

Compound Name2-methylpentyl (2R)-2-amino-4-methylpentanoate
PubChem CID103284088
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-methylpentyl (2R)-2-amino-4-methylpentanoate
SMILESCCCC(C)COC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C12H25NO2/c1-5-6-10(4)8-15-12(14)11(13)7-9(2)3/h9-11H,5-8,13H2,1-4H3/t10?,11-/m1/s1
InChIKeyPFYYCMGUYWLYPW-RRKGBCIJSA-N
XLogP2.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl (2R)-2-amino-4-methylpentanoate?
The IUPAC name of 2-methylpentyl (2R)-2-amino-4-methylpentanoate (CID 103284088) is 2-methylpentyl (2R)-2-amino-4-methylpentanoate.
What is the SMILES notation for 2-methylpentyl (2R)-2-amino-4-methylpentanoate?
The canonical SMILES for 2-methylpentyl (2R)-2-amino-4-methylpentanoate is CCCC(C)COC(=O)[C@H](N)CC(C)C.
What is the InChIKey of 2-methylpentyl (2R)-2-amino-4-methylpentanoate?
The InChIKey is PFYYCMGUYWLYPW-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-6-10(4)8-15-12(14)11(13)7-9(2)3/h9-11H,5-8,13H2,1-4H3/t10?,11-/m1/s1.
What are the key properties of 2-methylpentyl (2R)-2-amino-4-methylpentanoate?
2-methylpentyl (2R)-2-amino-4-methylpentanoate has a molecular weight of 215.34 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl (2R)-2-amino-4-methylpentanoate is sourced from PubChem (CID 103284088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).