methyl 2-[oxane-2-carbonyl(propyl)amino]acetate

C12H21NO4 — CID 62213195

IUPACmethyl 2-[oxane-2-carbonyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C1CCCCO1
InChIInChI=1S/C12H21NO4/c1-3-7-13(9-11(14)16-2)12(15)10-6-4-5-8-17-10/h10H,3-9H2,1-2H3
InChIKeyIPGGMESHSILWCI-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.97
Rot. Bonds5

About methyl 2-[oxane-2-carbonyl(propyl)amino]acetate

methyl 2-[oxane-2-carbonyl(propyl)amino]acetate (PubChem CID 62213195) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 2-[oxane-2-carbonyl(propyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[oxane-2-carbonyl(propyl)amino]acetate
PubChem CID62213195
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 2-[oxane-2-carbonyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C1CCCCO1
InChIInChI=1S/C12H21NO4/c1-3-7-13(9-11(14)16-2)12(15)10-6-4-5-8-17-10/h10H,3-9H2,1-2H3
InChIKeyIPGGMESHSILWCI-UHFFFAOYSA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate
CID 103872780
methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate
CID 55151948
methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate
CID 61009322
methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate
CID 80970947
methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate
CID 55048142
3-[ethyl(oxane-2-carbonyl)amino]propanoic acid
CID 62213143
methyl 4-[methyl(oxane-2-carbonyl)amino]butanoate
CID 55048143
N-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide
CID 62213009
methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate
CID 55208335
N,N-dibutyloxolane-2-carboxamide
CID 3414196
methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
CID 79776867
methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate
CID 103852349

Frequently Asked Questions

What is the IUPAC name of methyl 2-[oxane-2-carbonyl(propyl)amino]acetate?
The IUPAC name of methyl 2-[oxane-2-carbonyl(propyl)amino]acetate (CID 62213195) is methyl 2-[oxane-2-carbonyl(propyl)amino]acetate.
What is the SMILES notation for methyl 2-[oxane-2-carbonyl(propyl)amino]acetate?
The canonical SMILES for methyl 2-[oxane-2-carbonyl(propyl)amino]acetate is CCCN(CC(=O)OC)C(=O)C1CCCCO1.
What is the InChIKey of methyl 2-[oxane-2-carbonyl(propyl)amino]acetate?
The InChIKey is IPGGMESHSILWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-7-13(9-11(14)16-2)12(15)10-6-4-5-8-17-10/h10H,3-9H2,1-2H3.
What are the key properties of methyl 2-[oxane-2-carbonyl(propyl)amino]acetate?
methyl 2-[oxane-2-carbonyl(propyl)amino]acetate has a molecular weight of 243.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[oxane-2-carbonyl(propyl)amino]acetate is sourced from PubChem (CID 62213195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).