methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate

C9H15NO3 — CID 62065769

IUPACmethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate
SMILESCOC(=O)CNCC1CCC=CO1
InChIInChI=1S/C9H15NO3/c1-12-9(11)7-10-6-8-4-2-3-5-13-8/h3,5,8,10H,2,4,6-7H2,1H3
InChIKeyHQPOJOPXWQPNMJ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.44
Rot. Bonds4

About methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate

methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate (PubChem CID 62065769) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate
PubChem CID62065769
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate
SMILESCOC(=O)CNCC1CCC=CO1
InChIInChI=1S/C9H15NO3/c1-12-9(11)7-10-6-8-4-2-3-5-13-8/h3,5,8,10H,2,4,6-7H2,1H3
InChIKeyHQPOJOPXWQPNMJ-UHFFFAOYSA-N
XLogP0.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(hex-5-enylamino)acetate
CID 10867857
ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate
CID 19070281
Methyl 2-(hex-5-enylamino)acetate
CID 86056437
Methyl 2-(hept-6-enylamino)acetate
CID 88267678
Hex-5-en-2-yl 2-(ethylamino)acetate
CID 155163377
(2-Ethoxy-2-oxoethyl)-hex-5-enylazanium chloride
CID 10867856
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-ethoxyethanamine
CID 62064379
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-1-amine
CID 62064433
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetamide
CID 62064697
methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropanoate
CID 62064731
methyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanoate
CID 62064739
N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine
CID 62064870

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate?
The IUPAC name of methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate (CID 62065769) is methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate.
What is the SMILES notation for methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate?
The canonical SMILES for methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate is COC(=O)CNCC1CCC=CO1.
What is the InChIKey of methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate?
The InChIKey is HQPOJOPXWQPNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-9(11)7-10-6-8-4-2-3-5-13-8/h3,5,8,10H,2,4,6-7H2,1H3.
What are the key properties of methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate?
methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate has a molecular weight of 185.22 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate is sourced from PubChem (CID 62065769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).