tert-butyl 2-[3-acetyloxypropyl(3-methoxypropyl)amino]acetate

C15H29NO5 — CID 176618014

IUPACtert-butyl 2-[3-acetyloxypropyl(3-methoxypropyl)amino]acetate
SMILESCOCCCN(CCCOC(C)=O)CC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO5/c1-13(17)20-11-7-9-16(8-6-10-19-5)12-14(18)21-15(2,3)4/h6-12H2,1-5H3
InChIKeyOONRAISIBYMIQG-UHFFFAOYSA-N
MW303.40 g/mol
LogP1.62
Rot. Bonds10

About tert-butyl 2-[3-acetyloxypropyl(3-methoxypropyl)amino]acetate

tert-butyl 2-[3-acetyloxypropyl(3-methoxypropyl)amino]acetate (PubChem CID 176618014) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl 2-[3-acetyloxypropyl(3-methoxypropyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-acetyloxypropyl(3-methoxypropyl)amino]acetate
PubChem CID176618014
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Nametert-butyl 2-[3-acetyloxypropyl(3-methoxypropyl)amino]acetate
SMILESCOCCCN(CCCOC(C)=O)CC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO5/c1-13(17)20-11-7-9-16(8-6-10-19-5)12-14(18)21-15(2,3)4/h6-12H2,1-5H3
InChIKeyOONRAISIBYMIQG-UHFFFAOYSA-N
XLogP1.62
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl N-(2-ethoxy-2-oxoethyl)-N-methylglycinate
CID 79432
Glycine, N,N-dibutyl-, ethyl ester
CID 17537
Glycine, N,N-diisobutyl-, ethyl ester
CID 17538
Glycine, N,N-diisopentyl-, ethyl ester
CID 17698
Methyl 2-([2-(tert-butoxy)-2-oxoethyl](2-methoxy-2-oxoethyl)amino)acetate
CID 62954172
Glycine, N,N-bis(2-ethoxyethyl)-, ethyl ester
CID 24838487
Ethyl 2-(dipropylamino)acetate
CID 575237
n,n-Bis(t-butyl-4-carboxymethyl)aminoethanol
CID 10017055
Tert-butyl 2-(dimethylamino)acetate
CID 15691038
Ethyl 2-[butyl(methyl)amino]acetate
CID 28878706
Butyl-(2-ethoxy-2-oxoethyl)-dimethylazanium
CID 91805186
3-[Dimethyl-[2-(2-methylpropanoyloxy)ethyl]azaniumyl]propanoate
CID 139213493

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-acetyloxypropyl(3-methoxypropyl)amino]acetate?
The IUPAC name of tert-butyl 2-[3-acetyloxypropyl(3-methoxypropyl)amino]acetate (CID 176618014) is tert-butyl 2-[3-acetyloxypropyl(3-methoxypropyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[3-acetyloxypropyl(3-methoxypropyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[3-acetyloxypropyl(3-methoxypropyl)amino]acetate is COCCCN(CCCOC(C)=O)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[3-acetyloxypropyl(3-methoxypropyl)amino]acetate?
The InChIKey is OONRAISIBYMIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5/c1-13(17)20-11-7-9-16(8-6-10-19-5)12-14(18)21-15(2,3)4/h6-12H2,1-5H3.
What are the key properties of tert-butyl 2-[3-acetyloxypropyl(3-methoxypropyl)amino]acetate?
tert-butyl 2-[3-acetyloxypropyl(3-methoxypropyl)amino]acetate has a molecular weight of 303.40 g/mol, XLogP of 1.62, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-acetyloxypropyl(3-methoxypropyl)amino]acetate is sourced from PubChem (CID 176618014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).