oxolan-3-ylmethyl 6-amino-2-methylheptanoate

C13H25NO3 — CID 65284885

IUPACoxolan-3-ylmethyl 6-amino-2-methylheptanoate
SMILESCC(N)CCCC(C)C(=O)OCC1CCOC1
InChIInChI=1S/C13H25NO3/c1-10(4-3-5-11(2)14)13(15)17-9-12-6-7-16-8-12/h10-12H,3-9,14H2,1-2H3
InChIKeyORJQZQGCCQUQDB-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.72
Rot. Bonds7

About oxolan-3-ylmethyl 6-amino-2-methylheptanoate

oxolan-3-ylmethyl 6-amino-2-methylheptanoate (PubChem CID 65284885) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is oxolan-3-ylmethyl 6-amino-2-methylheptanoate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl 6-amino-2-methylheptanoate
PubChem CID65284885
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameoxolan-3-ylmethyl 6-amino-2-methylheptanoate
SMILESCC(N)CCCC(C)C(=O)OCC1CCOC1
InChIInChI=1S/C13H25NO3/c1-10(4-3-5-11(2)14)13(15)17-9-12-6-7-16-8-12/h10-12H,3-9,14H2,1-2H3
InChIKeyORJQZQGCCQUQDB-UHFFFAOYSA-N
XLogP1.72
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-4-ylmethyl 6-amino-2-methylheptanoate
CID 65285134
oxolan-3-ylmethyl 5-amino-2-methylpentanoate
CID 104686029
oxan-4-ylmethyl 5-amino-2-methylpentanoate
CID 104686033
ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate
CID 115001681
6-amino-2-methyl-N-(oxan-4-yl)heptanamide
CID 65290448
cyclopropylmethyl 2-methylhexanoate
CID 67151240
2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid
CID 114995904
ethyl 2-(oxolan-3-ylmethoxy)pentanoate
CID 83038452
2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid
CID 134207969
oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate
CID 107825386
6-(oxan-4-ylmethoxy)hexan-2-amine
CID 62382428
oxolan-3-ylmethyl (2R)-2-amino-2-phenylacetate
CID 54977387

Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl 6-amino-2-methylheptanoate?
The IUPAC name of oxolan-3-ylmethyl 6-amino-2-methylheptanoate (CID 65284885) is oxolan-3-ylmethyl 6-amino-2-methylheptanoate.
What is the SMILES notation for oxolan-3-ylmethyl 6-amino-2-methylheptanoate?
The canonical SMILES for oxolan-3-ylmethyl 6-amino-2-methylheptanoate is CC(N)CCCC(C)C(=O)OCC1CCOC1.
What is the InChIKey of oxolan-3-ylmethyl 6-amino-2-methylheptanoate?
The InChIKey is ORJQZQGCCQUQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(4-3-5-11(2)14)13(15)17-9-12-6-7-16-8-12/h10-12H,3-9,14H2,1-2H3.
What are the key properties of oxolan-3-ylmethyl 6-amino-2-methylheptanoate?
oxolan-3-ylmethyl 6-amino-2-methylheptanoate has a molecular weight of 243.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl 6-amino-2-methylheptanoate is sourced from PubChem (CID 65284885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).