oxan-4-ylmethyl 3-amino-2-methoxypropanoate

C10H19NO4 — CID 106109501

IUPACoxan-4-ylmethyl 3-amino-2-methoxypropanoate
SMILESCOC(CN)C(=O)OCC1CCOCC1
InChIInChI=1S/C10H19NO4/c1-13-9(6-11)10(12)15-7-8-2-4-14-5-3-8/h8-9H,2-7,11H2,1H3
InChIKeyPMZRQUAFPTZYIL-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.07
Rot. Bonds5

About oxan-4-ylmethyl 3-amino-2-methoxypropanoate

oxan-4-ylmethyl 3-amino-2-methoxypropanoate (PubChem CID 106109501) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is oxan-4-ylmethyl 3-amino-2-methoxypropanoate.

Molecular Properties

Compound Nameoxan-4-ylmethyl 3-amino-2-methoxypropanoate
PubChem CID106109501
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameoxan-4-ylmethyl 3-amino-2-methoxypropanoate
SMILESCOC(CN)C(=O)OCC1CCOCC1
InChIInChI=1S/C10H19NO4/c1-13-9(6-11)10(12)15-7-8-2-4-14-5-3-8/h8-9H,2-7,11H2,1H3
InChIKeyPMZRQUAFPTZYIL-UHFFFAOYSA-N
XLogP-0.07
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

oxan-4-ylmethyl 2-sulfanylpropanoate
CID 107018736
oxan-4-ylmethyl 5-amino-2-methylpentanoate
CID 104686033
oxan-4-ylmethyl carbamate
CID 134587773
oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate
CID 78989415
oxan-4-ylmethyl 5-amino-4-methylpentanoate
CID 82687727
oxan-4-ylmethyl (2S)-2-amino-3-sulfanylpropanoate
CID 107774168
oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate
CID 107825386
oxan-4-ylmethyl oxane-4-carboxylate
CID 67654592
oxan-4-ylmethyl 6-amino-2-methylheptanoate
CID 65285134
oxan-4-ylmethyl 2-amino-2-methylbutanoate
CID 79797909
2-(oxan-4-ylmethoxy)propanoic acid
CID 62384175
4-amino-3-methyl-1-(oxan-4-yl)butan-2-one
CID 116564545

Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethyl 3-amino-2-methoxypropanoate?
The IUPAC name of oxan-4-ylmethyl 3-amino-2-methoxypropanoate (CID 106109501) is oxan-4-ylmethyl 3-amino-2-methoxypropanoate.
What is the SMILES notation for oxan-4-ylmethyl 3-amino-2-methoxypropanoate?
The canonical SMILES for oxan-4-ylmethyl 3-amino-2-methoxypropanoate is COC(CN)C(=O)OCC1CCOCC1.
What is the InChIKey of oxan-4-ylmethyl 3-amino-2-methoxypropanoate?
The InChIKey is PMZRQUAFPTZYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-13-9(6-11)10(12)15-7-8-2-4-14-5-3-8/h8-9H,2-7,11H2,1H3.
What are the key properties of oxan-4-ylmethyl 3-amino-2-methoxypropanoate?
oxan-4-ylmethyl 3-amino-2-methoxypropanoate has a molecular weight of 217.26 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethyl 3-amino-2-methoxypropanoate is sourced from PubChem (CID 106109501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).