methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate

C11H21NO3 — CID 43386449

IUPACmethyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate
SMILESCOC(=O)C(NCC1CCCO1)C(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)10(11(13)14-3)12-7-9-5-4-6-15-9/h8-10,12H,4-7H2,1-3H3
InChIKeyQQAPLFXAEKGNMT-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.95
Rot. Bonds5

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

methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate (PubChem CID 43386449) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate
PubChem CID43386449
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate
SMILESCOC(=O)C(NCC1CCCO1)C(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)10(11(13)14-3)12-7-9-5-4-6-15-9/h8-10,12H,4-7H2,1-3H3
InChIKeyQQAPLFXAEKGNMT-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-(oxolan-2-ylmethylamino)butanoate
CID 79391941
methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 60994062
methyl (2S)-2-methyl-4-oxo-4-[[(2S)-oxolan-2-yl]methylamino]butanoate
CID 97019343
3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 43179200
3-(oxan-2-ylmethylamino)butanamide
CID 115676557
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate
CID 19010953
methyl 4-ethylsulfanyl-2-(oxolan-2-ylmethylamino)butanoate
CID 116504345
(2R)-1-methoxy-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 28571154
methyl 2-hydroxy-3-[(2R)-oxolan-2-yl]propanoate
CID 67130803
oxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate
CID 54390356
3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 3352161

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate?
The IUPAC name of methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate (CID 43386449) is methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate.
What is the SMILES notation for methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate?
The canonical SMILES for methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate is COC(=O)C(NCC1CCCO1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate?
The InChIKey is QQAPLFXAEKGNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)10(11(13)14-3)12-7-9-5-4-6-15-9/h8-10,12H,4-7H2,1-3H3.
What are the key properties of methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate?
methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate has a molecular weight of 215.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate is sourced from PubChem (CID 43386449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).