methyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate

C12H23NO3 — CID 115233259

IUPACmethyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate
SMILESCOC(=O)CNCC(C)(C)C1CCOCC1
InChIInChI=1S/C12H23NO3/c1-12(2,9-13-8-11(14)15-3)10-4-6-16-7-5-10/h10,13H,4-9H2,1-3H3
InChIKeyOVXMOOZTQXGNAC-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.20
Rot. Bonds5

About methyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate

methyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate (PubChem CID 115233259) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate
PubChem CID115233259
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate
SMILESCOC(=O)CNCC(C)(C)C1CCOCC1
InChIInChI=1S/C12H23NO3/c1-12(2,9-13-8-11(14)15-3)10-4-6-16-7-5-10/h10,13H,4-9H2,1-3H3
InChIKeyOVXMOOZTQXGNAC-UHFFFAOYSA-N
XLogP1.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate
CID 115233257
N-(cyclopropylmethyl)-2-methyl-2-(oxan-4-yl)propan-1-amine
CID 165466110
N-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide
CID 115194315
methyl 3-(oxan-4-yl)propanoate
CID 55296577
1-[(2-cyclobutyl-2-methylpropyl)amino]propan-2-one
CID 115235348
methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate
CID 115233556
N-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide
CID 115159157
3-methyl-2-[[[2-methyl-2-(oxan-4-yl)propyl]amino]methyl]butan-1-ol
CID 115252302
2-methyl-3-[[2-methyl-2-(oxan-4-yl)propyl]amino]-3-oxopropanoic acid
CID 115164424
1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide
CID 115183609
1-(hydroxymethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclopropane-1-carboxamide
CID 115182500
2-cyclopentyl-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115888052

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate?
The IUPAC name of methyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate (CID 115233259) is methyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate is COC(=O)CNCC(C)(C)C1CCOCC1.
What is the InChIKey of methyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate?
The InChIKey is OVXMOOZTQXGNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,9-13-8-11(14)15-3)10-4-6-16-7-5-10/h10,13H,4-9H2,1-3H3.
What are the key properties of methyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate?
methyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate has a molecular weight of 229.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate is sourced from PubChem (CID 115233259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).