2-[2-(2,2-dimethylpropanoyloxy)ethylamino]acetate

C9H16NO4- — CID 163539712

IUPAC2-[2-(2,2-dimethylpropanoyloxy)ethylamino]acetate
SMILESCC(C)(C)C(=O)OCCNCC(=O)[O-]
InChIInChI=1S/C9H17NO4/c1-9(2,3)8(13)14-5-4-10-6-7(11)12/h10H,4-6H2,1-3H3,(H,11,12)/p-1
InChIKeyFABNOAYAPQUDED-UHFFFAOYSA-M
MW202.23 g/mol
LogP-1.08
Rot. Bonds5

About 2-[2-(2,2-dimethylpropanoyloxy)ethylamino]acetate

2-[2-(2,2-dimethylpropanoyloxy)ethylamino]acetate (PubChem CID 163539712) has the molecular formula C9H16NO4- and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropanoyloxy)ethylamino]acetate.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropanoyloxy)ethylamino]acetate
PubChem CID163539712
Molecular FormulaC9H16NO4-
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Name2-[2-(2,2-dimethylpropanoyloxy)ethylamino]acetate
SMILESCC(C)(C)C(=O)OCCNCC(=O)[O-]
InChIInChI=1S/C9H17NO4/c1-9(2,3)8(13)14-5-4-10-6-7(11)12/h10H,4-6H2,1-3H3,(H,11,12)/p-1
InChIKeyFABNOAYAPQUDED-UHFFFAOYSA-M
XLogP-1.08
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(butylamino)ethyl 2,2-dimethylpropanoate
CID 82532408
2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate
CID 174656912
sodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine)
CID 23701740
2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate
CID 82533439
4-[2-(2,2-dimethylpropanoyloxy)ethyl-dimethylazaniumyl]butanoate
CID 134252110
2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate
CID 167093318
2-aminooxyethyl 2,2-dimethylpropanoate
CID 130209024
disodium bis(2-(2-aminoethylamino)acetate)
CID 173036397
3-[(3-methoxy-3-oxopropyl)amino]propyl 2,2-dimethylpropanoate
CID 59031861
2-[2-[2-[2-(2,2-dimethylpropanoyloxy)ethylcarbamoyloxy]ethylsulfanyl]ethoxycarbonylamino]ethyl 2,2-dimethylpropanoate
CID 176588653
2-(2,2,2-trifluoroacetyl)oxyethyl 2,2-dimethylpropanoate
CID 90159990
2-[(2,4-difluorophenyl)methylamino]ethyl 2,2-dimethylpropanoate
CID 82532966

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylpropanoyloxy)ethylamino]acetate?
The IUPAC name of 2-[2-(2,2-dimethylpropanoyloxy)ethylamino]acetate (CID 163539712) is 2-[2-(2,2-dimethylpropanoyloxy)ethylamino]acetate.
What is the SMILES notation for 2-[2-(2,2-dimethylpropanoyloxy)ethylamino]acetate?
The canonical SMILES for 2-[2-(2,2-dimethylpropanoyloxy)ethylamino]acetate is CC(C)(C)C(=O)OCCNCC(=O)[O-].
What is the InChIKey of 2-[2-(2,2-dimethylpropanoyloxy)ethylamino]acetate?
The InChIKey is FABNOAYAPQUDED-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17NO4/c1-9(2,3)8(13)14-5-4-10-6-7(11)12/h10H,4-6H2,1-3H3,(H,11,12)/p-1.
What are the key properties of 2-[2-(2,2-dimethylpropanoyloxy)ethylamino]acetate?
2-[2-(2,2-dimethylpropanoyloxy)ethylamino]acetate has a molecular weight of 202.23 g/mol, XLogP of -1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylpropanoyloxy)ethylamino]acetate is sourced from PubChem (CID 163539712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).