methyl 2-(oxolan-3-ylmethylamino)hexanoate

C12H23NO3 — CID 103868431

IUPACmethyl 2-(oxolan-3-ylmethylamino)hexanoate
SMILESCCCCC(NCC1CCOC1)C(=O)OC
InChIInChI=1S/C12H23NO3/c1-3-4-5-11(12(14)15-2)13-8-10-6-7-16-9-10/h10-11,13H,3-9H2,1-2H3
InChIKeyPLRLBQCAIBQLNG-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.34
Rot. Bonds7

About methyl 2-(oxolan-3-ylmethylamino)hexanoate

methyl 2-(oxolan-3-ylmethylamino)hexanoate (PubChem CID 103868431) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 2-(oxolan-3-ylmethylamino)hexanoate.

Molecular Properties

Compound Namemethyl 2-(oxolan-3-ylmethylamino)hexanoate
PubChem CID103868431
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 2-(oxolan-3-ylmethylamino)hexanoate
SMILESCCCCC(NCC1CCOC1)C(=O)OC
InChIInChI=1S/C12H23NO3/c1-3-4-5-11(12(14)15-2)13-8-10-6-7-16-9-10/h10-11,13H,3-9H2,1-2H3
InChIKeyPLRLBQCAIBQLNG-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(oxolan-3-ylmethylamino)pentanoate
CID 79041046
methyl 2-(thian-4-ylmethylamino)hexanoate
CID 103868467
methyl 2-(oxan-3-ylmethylamino)butanoate
CID 115353202
methyl 2-(oxan-4-ylamino)hexanoate
CID 103830638
2-(oxolan-3-ylmethylamino)butanoic acid
CID 64668954
methyl 2-[(2-methylcyclopropyl)methylamino]hexanoate
CID 103096963
methyl 2-[(2-hydroxycyclopentyl)methylamino]hexanoate
CID 103255155
methyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate
CID 103254108
ethyl 2-(oxan-4-ylmethylamino)butanoate
CID 64670157
methyl 2-[(4-hydroxyoxan-4-yl)methylamino]hexanoate
CID 103257015
methyl 2-(cyclopropylmethylamino)butanoate
CID 61001350
methyl (2R)-2-(cyclopropylmethylamino)butanoate
CID 67121985

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxolan-3-ylmethylamino)hexanoate?
The IUPAC name of methyl 2-(oxolan-3-ylmethylamino)hexanoate (CID 103868431) is methyl 2-(oxolan-3-ylmethylamino)hexanoate.
What is the SMILES notation for methyl 2-(oxolan-3-ylmethylamino)hexanoate?
The canonical SMILES for methyl 2-(oxolan-3-ylmethylamino)hexanoate is CCCCC(NCC1CCOC1)C(=O)OC.
What is the InChIKey of methyl 2-(oxolan-3-ylmethylamino)hexanoate?
The InChIKey is PLRLBQCAIBQLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-4-5-11(12(14)15-2)13-8-10-6-7-16-9-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of methyl 2-(oxolan-3-ylmethylamino)hexanoate?
methyl 2-(oxolan-3-ylmethylamino)hexanoate has a molecular weight of 229.32 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxolan-3-ylmethylamino)hexanoate is sourced from PubChem (CID 103868431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).