oxolan-3-ylmethyl 5-amino-2-methylpentanoate

C11H21NO3 — CID 104686029

IUPACoxolan-3-ylmethyl 5-amino-2-methylpentanoate
SMILESCC(CCCN)C(=O)OCC1CCOC1
InChIInChI=1S/C11H21NO3/c1-9(3-2-5-12)11(13)15-8-10-4-6-14-7-10/h9-10H,2-8,12H2,1H3
InChIKeyDBYNCZRKJFAPCE-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.94
Rot. Bonds6

About oxolan-3-ylmethyl 5-amino-2-methylpentanoate

oxolan-3-ylmethyl 5-amino-2-methylpentanoate (PubChem CID 104686029) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is oxolan-3-ylmethyl 5-amino-2-methylpentanoate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl 5-amino-2-methylpentanoate
PubChem CID104686029
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameoxolan-3-ylmethyl 5-amino-2-methylpentanoate
SMILESCC(CCCN)C(=O)OCC1CCOC1
InChIInChI=1S/C11H21NO3/c1-9(3-2-5-12)11(13)15-8-10-4-6-14-7-10/h9-10H,2-8,12H2,1H3
InChIKeyDBYNCZRKJFAPCE-UHFFFAOYSA-N
XLogP0.94
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-4-ylmethyl 5-amino-2-methylpentanoate
CID 104686033
oxolan-3-ylmethyl 6-amino-2-methylheptanoate
CID 65284885
oxan-4-ylmethyl 6-amino-2-methylheptanoate
CID 65285134
oxolan-3-yl 5-amino-2-methylpentanoate
CID 104686034
cyclopropylmethyl 4-amino-2-methylbutanoate
CID 80540087
ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate
CID 115001681
oxan-4-ylmethyl 2-sulfanylpropanoate
CID 107018736
cyclopropylmethyl 2-methylhexanoate
CID 67151240
2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid
CID 114995904
2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid
CID 134207969
2-methyl-3-[(3S)-oxolan-3-yl]propanamide
CID 162453240
oxolan-3-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 115433872

Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl 5-amino-2-methylpentanoate?
The IUPAC name of oxolan-3-ylmethyl 5-amino-2-methylpentanoate (CID 104686029) is oxolan-3-ylmethyl 5-amino-2-methylpentanoate.
What is the SMILES notation for oxolan-3-ylmethyl 5-amino-2-methylpentanoate?
The canonical SMILES for oxolan-3-ylmethyl 5-amino-2-methylpentanoate is CC(CCCN)C(=O)OCC1CCOC1.
What is the InChIKey of oxolan-3-ylmethyl 5-amino-2-methylpentanoate?
The InChIKey is DBYNCZRKJFAPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(3-2-5-12)11(13)15-8-10-4-6-14-7-10/h9-10H,2-8,12H2,1H3.
What are the key properties of oxolan-3-ylmethyl 5-amino-2-methylpentanoate?
oxolan-3-ylmethyl 5-amino-2-methylpentanoate has a molecular weight of 215.29 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl 5-amino-2-methylpentanoate is sourced from PubChem (CID 104686029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).