methyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate

C13H25NO3 — CID 63739850

IUPACmethyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate
SMILESCCC(C)C(NCC1CCCOC1)C(=O)OC
InChIInChI=1S/C13H25NO3/c1-4-10(2)12(13(15)16-3)14-8-11-6-5-7-17-9-11/h10-12,14H,4-9H2,1-3H3
InChIKeyDFXAKXRPUAEKMN-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.59
Rot. Bonds6

About methyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate

methyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate (PubChem CID 63739850) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate
PubChem CID63739850
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namemethyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate
SMILESCCC(C)C(NCC1CCCOC1)C(=O)OC
InChIInChI=1S/C13H25NO3/c1-4-10(2)12(13(15)16-3)14-8-11-6-5-7-17-9-11/h10-12,14H,4-9H2,1-3H3
InChIKeyDFXAKXRPUAEKMN-UHFFFAOYSA-N
XLogP1.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(oxan-3-ylmethylamino)butanoate
CID 115353202
methyl 2-(cyclopropylmethylamino)-3-methylpentanoate
CID 43732464
methyl 2-bromo-3-(oxan-3-ylmethylamino)propanoate
CID 103242246
(2R)-2-(oxan-3-ylmethylamino)butan-1-ol
CID 103924305
2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol
CID 115907690
N-ethyl-N-methyl-2-(oxan-3-ylmethylamino)propanamide
CID 103106976
N-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54906033
N'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide
CID 77031801
N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54905939
3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
CID 61313229
1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one
CID 54905983
methyl 2-(oxolan-3-ylmethylamino)hexanoate
CID 103868431

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate?
The IUPAC name of methyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate (CID 63739850) is methyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate.
What is the SMILES notation for methyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate?
The canonical SMILES for methyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate is CCC(C)C(NCC1CCCOC1)C(=O)OC.
What is the InChIKey of methyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate?
The InChIKey is DFXAKXRPUAEKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-10(2)12(13(15)16-3)14-8-11-6-5-7-17-9-11/h10-12,14H,4-9H2,1-3H3.
What are the key properties of methyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate?
methyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate has a molecular weight of 243.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate is sourced from PubChem (CID 63739850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).