methyl 2-(oxan-4-ylmethylamino)propanoate

C10H19NO3 — CID 62385686

IUPACmethyl 2-(oxan-4-ylmethylamino)propanoate
SMILESCOC(=O)C(C)NCC1CCOCC1
InChIInChI=1S/C10H19NO3/c1-8(10(12)13-2)11-7-9-3-5-14-6-4-9/h8-9,11H,3-7H2,1-2H3
InChIKeyOAUUQGVZRSXODF-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.56
Rot. Bonds4

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

methyl 2-(oxan-4-ylmethylamino)propanoate (PubChem CID 62385686) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-(oxan-4-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(oxan-4-ylmethylamino)propanoate
PubChem CID62385686
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-(oxan-4-ylmethylamino)propanoate
SMILESCOC(=O)C(C)NCC1CCOCC1
InChIInChI=1S/C10H19NO3/c1-8(10(12)13-2)11-7-9-3-5-14-6-4-9/h8-9,11H,3-7H2,1-2H3
InChIKeyOAUUQGVZRSXODF-UHFFFAOYSA-N
XLogP0.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylmethylamino)propanoate
CID 60780744
2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide
CID 63711162
N-tert-butyl-2-(oxan-4-ylmethylamino)propanamide
CID 55210335
methyl 2-methyl-3-(oxan-4-yl)propanoate
CID 67765970
methyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate
CID 66173751
N-butyl-2-(oxan-4-ylmethylamino)propanamide
CID 62351557
methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate
CID 80554034
CID 88879043
CID 88879043
ethyl 2-(oxan-4-ylmethylamino)butanoate
CID 64670157
1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine
CID 62386572
2-(cyclohexylmethylamino)propanamide
CID 43216154
methyl (2R)-2-amino-4-(oxan-4-yl)butanoate
CID 27282389

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxan-4-ylmethylamino)propanoate?
The IUPAC name of methyl 2-(oxan-4-ylmethylamino)propanoate (CID 62385686) is methyl 2-(oxan-4-ylmethylamino)propanoate.
What is the SMILES notation for methyl 2-(oxan-4-ylmethylamino)propanoate?
The canonical SMILES for methyl 2-(oxan-4-ylmethylamino)propanoate is COC(=O)C(C)NCC1CCOCC1.
What is the InChIKey of methyl 2-(oxan-4-ylmethylamino)propanoate?
The InChIKey is OAUUQGVZRSXODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(10(12)13-2)11-7-9-3-5-14-6-4-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of methyl 2-(oxan-4-ylmethylamino)propanoate?
methyl 2-(oxan-4-ylmethylamino)propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxan-4-ylmethylamino)propanoate is sourced from PubChem (CID 62385686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).