methyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate

C11H21NO4 — CID 104644498

IUPACmethyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate
SMILESCOC(=O)C(C)(O)CNCC1CCOCC1
InChIInChI=1S/C11H21NO4/c1-11(14,10(13)15-2)8-12-7-9-3-5-16-6-4-9/h9,12,14H,3-8H2,1-2H3
InChIKeyOXBNSAFQLRXUOO-UHFFFAOYSA-N
MW231.29 g/mol
LogP-0.07
Rot. Bonds5

About methyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate

methyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate (PubChem CID 104644498) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate
PubChem CID104644498
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate
SMILESCOC(=O)C(C)(O)CNCC1CCOCC1
InChIInChI=1S/C11H21NO4/c1-11(14,10(13)15-2)8-12-7-9-3-5-16-6-4-9/h9,12,14H,3-8H2,1-2H3
InChIKeyOXBNSAFQLRXUOO-UHFFFAOYSA-N
XLogP-0.07
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide
CID 115749017
methyl 2,2-difluoro-3-(oxan-4-yl)propanoate
CID 105461465
2,2-dimethyl-3-(oxan-4-ylmethylamino)propanenitrile
CID 104587192
N-(cyclopropylmethyl)-2-methyl-2-(oxan-4-yl)propan-1-amine
CID 165466110
2-methyl-4-(oxan-4-ylmethylamino)butan-2-ol
CID 79355568
methyl 3-(oxan-4-yl)propanoate
CID 55296577
methyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate
CID 97220901
2-cyclopentyl-3-methoxy-2-(oxan-4-ylmethyl)-3-oxopropanoic acid
CID 103974672
3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol
CID 115763283
2-cyclopentyl-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115888052
2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol
CID 66170060
3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid
CID 122040928

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate (CID 104644498) is methyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate is COC(=O)C(C)(O)CNCC1CCOCC1.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate?
The InChIKey is OXBNSAFQLRXUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(14,10(13)15-2)8-12-7-9-3-5-16-6-4-9/h9,12,14H,3-8H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate?
methyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate has a molecular weight of 231.29 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate is sourced from PubChem (CID 104644498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).