2-[formyl(2-propanoyloxyethyl)amino]ethyl 2,2-dimethylpropanoate

C13H23NO5 — CID 130383482

IUPAC2-[formyl(2-propanoyloxyethyl)amino]ethyl 2,2-dimethylpropanoate
SMILESCCC(=O)OCCN(C=O)CCOC(=O)C(C)(C)C
InChIInChI=1S/C13H23NO5/c1-5-11(16)18-8-6-14(10-15)7-9-19-12(17)13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyQBYJJCNSPHHVFU-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.99
Rot. Bonds8

About 2-[formyl(2-propanoyloxyethyl)amino]ethyl 2,2-dimethylpropanoate

2-[formyl(2-propanoyloxyethyl)amino]ethyl 2,2-dimethylpropanoate (PubChem CID 130383482) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[formyl(2-propanoyloxyethyl)amino]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[formyl(2-propanoyloxyethyl)amino]ethyl 2,2-dimethylpropanoate
PubChem CID130383482
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-[formyl(2-propanoyloxyethyl)amino]ethyl 2,2-dimethylpropanoate
SMILESCCC(=O)OCCN(C=O)CCOC(=O)C(C)(C)C
InChIInChI=1S/C13H23NO5/c1-5-11(16)18-8-6-14(10-15)7-9-19-12(17)13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyQBYJJCNSPHHVFU-UHFFFAOYSA-N
XLogP0.99
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate
CID 134213072
bis(2-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxyethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate);2-propanoyloxyethyl propanoate
CID 91127722
2-(2,2-dimethylpropanoyloxy)ethyl 4,4-dimethylpentanoate
CID 177089265
2-(diethylamino)ethyl propanoate;hydrochloride
CID 141390423
2-[formyl-[2-(methoxymethoxy)ethyl]amino]ethyl 2-methoxyacetate
CID 121263922
2-[formyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
CID 87157712
2-[ethyl(iodo)amino]ethyl propanoate
CID 167202757
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylpropanoate
CID 137320757
hex-3-enyl 2,2-dimethylpropanoate
CID 3019988
2-(2,2-dimethylpropanoyloxy)ethyl 4-oxopentanoate
CID 122591225
2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium
CID 169015750
2-[2-hydroxyethyl(methyl)amino]ethyl propanoate
CID 123682095

Frequently Asked Questions

What is the IUPAC name of 2-[formyl(2-propanoyloxyethyl)amino]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[formyl(2-propanoyloxyethyl)amino]ethyl 2,2-dimethylpropanoate (CID 130383482) is 2-[formyl(2-propanoyloxyethyl)amino]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[formyl(2-propanoyloxyethyl)amino]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[formyl(2-propanoyloxyethyl)amino]ethyl 2,2-dimethylpropanoate is CCC(=O)OCCN(C=O)CCOC(=O)C(C)(C)C.
What is the InChIKey of 2-[formyl(2-propanoyloxyethyl)amino]ethyl 2,2-dimethylpropanoate?
The InChIKey is QBYJJCNSPHHVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-5-11(16)18-8-6-14(10-15)7-9-19-12(17)13(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of 2-[formyl(2-propanoyloxyethyl)amino]ethyl 2,2-dimethylpropanoate?
2-[formyl(2-propanoyloxyethyl)amino]ethyl 2,2-dimethylpropanoate has a molecular weight of 273.33 g/mol, XLogP of 0.99, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(2-propanoyloxyethyl)amino]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 130383482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).