2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]acetic acid

C10H19NO5 — CID 18442965

IUPAC2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]acetic acid
SMILESCN(CCOCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO5/c1-10(2,3)16-9(14)11(4)5-6-15-7-8(12)13/h5-7H2,1-4H3,(H,12,13)
InChIKeyJFKKAUDHHVGGKJ-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.95
Rot. Bonds5

About 2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]acetic acid

2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]acetic acid (PubChem CID 18442965) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]acetic acid
PubChem CID18442965
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]acetic acid
SMILESCN(CCOCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO5/c1-10(2,3)16-9(14)11(4)5-6-15-7-8(12)13/h5-7H2,1-4H3,(H,12,13)
InChIKeyJFKKAUDHHVGGKJ-UHFFFAOYSA-N
XLogP0.95
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-{[(Tert-butoxy)carbonyl]amino}ethoxy)ethoxy]acetic acid
CID 2755940
2-(2-((Tert-butoxycarbonyl)amino)ethoxy)acetic acid
CID 15000283
2-{2-[2-(2-{[(Tert-butoxy)carbonyl]amino}ethoxy)ethoxy]ethoxy}acetic acid
CID 15544433
14-(((Tert-butoxy)carbonyl)amino)-3,6,9,12-tetraoxatetradecanoic acid
CID 11660330
2-((1-((Tert-butoxy)carbonyl)azetidin-3-yl)oxy)acetic acid
CID 40429408
2-((1-((Tert-butoxy)carbonyl)pyrrolidin-3-yl)oxy)acetic acid
CID 44607718
4-(tert-Butoxycarbonyl)-2-methylmorpholine-2-carboxylic acid
CID 51358232
2-({1-[(Tert-butoxy)carbonyl]azetidin-3-yl}oxy)propanoic acid
CID 77183536
1-[(Tert-butoxy)carbonyl]-3-ethoxyazetidine-3-carboxylic acid
CID 145867334
2-((1-(((Tert-butoxy)carbonyl)amino)-2-methylpropan-2-yl)oxy)acetic acid
CID 165945790
2-((1-((Tert-butoxy)carbonyl)-3-methylazetidin-3-yl)oxy)acetic acid
CID 75481566
2-[1-[(2-Methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxy-2-oxoacetic acid
CID 154710918

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]acetic acid (CID 18442965) is 2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]acetic acid is CN(CCOCC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]acetic acid?
The InChIKey is JFKKAUDHHVGGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-10(2,3)16-9(14)11(4)5-6-15-7-8(12)13/h5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]acetic acid?
2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]acetic acid has a molecular weight of 233.26 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 18442965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).