2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium

C12H20NO5Y- — CID 169015750

IUPAC2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium
SMILES[CH2-]C(=O)N(CCOC(=O)CC)CCOC(=O)CC.[Y]
InChIInChI=1S/C12H20NO5.Y/c1-4-11(15)17-8-6-13(10(3)14)7-9-18-12(16)5-2;/h3-9H2,1-2H3;/q-1;
InChIKeySMNYLLPETPPKEJ-UHFFFAOYSA-N
MW347.20 g/mol
LogP0.55
Rot. Bonds8

About 2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium

2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium (PubChem CID 169015750) has the molecular formula C12H20NO5Y- and a molecular weight of 347.20 g/mol. Its IUPAC name is 2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium.

Molecular Properties

Compound Name2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium
PubChem CID169015750
Molecular FormulaC12H20NO5Y-
Molecular Weight347.20 g/mol
Exact Mass347.04
IUPAC Name2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium
SMILES[CH2-]C(=O)N(CCOC(=O)CC)CCOC(=O)CC.[Y]
InChIInChI=1S/C12H20NO5.Y/c1-4-11(15)17-8-6-13(10(3)14)7-9-18-12(16)5-2;/h3-9H2,1-2H3;/q-1;
InChIKeySMNYLLPETPPKEJ-UHFFFAOYSA-N
XLogP0.55
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)ethyl propanoate;hydrochloride
CID 141390423
2-[ethyl(iodo)amino]ethyl propanoate
CID 167202757
2-[2-hydroxyethyl(methyl)amino]ethyl propanoate
CID 123682095
2-[[2-[2-(dimethylamino)ethylsulfanyl]acetyl]-(2-propanoyloxyethyl)amino]ethyl propanoate
CID 169015752
2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane
CID 142272476
14-propanoyloxytetradecyl propanoate
CID 100931915
lithium N,N-dipropylacetamide
CID 10997201
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
2-tellanylethyl propanoate
CID 174440561
2-aminoethyl propanoate;zinc
CID 175266115
propanoyl (113C)propanoate
CID 91179573
ethyl propanoate;titanium(4+);tetrachloride
CID 173205872

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium?
The IUPAC name of 2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium (CID 169015750) is 2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium.
What is the SMILES notation for 2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium?
The canonical SMILES for 2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium is [CH2-]C(=O)N(CCOC(=O)CC)CCOC(=O)CC.[Y].
What is the InChIKey of 2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium?
The InChIKey is SMNYLLPETPPKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO5.Y/c1-4-11(15)17-8-6-13(10(3)14)7-9-18-12(16)5-2;/h3-9H2,1-2H3;/q-1;.
What are the key properties of 2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium?
2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium has a molecular weight of 347.20 g/mol, XLogP of 0.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium is sourced from PubChem (CID 169015750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).