2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetic acid

C10H17NO4 — CID 10330883

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-5-6-11(7-8(12)13)9(14)15-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,12,13)
InChIKeyFTLUYABUJZUQON-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.49
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetic acid

2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetic acid (PubChem CID 10330883) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetic acid
PubChem CID10330883
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-5-6-11(7-8(12)13)9(14)15-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,12,13)
InChIKeyFTLUYABUJZUQON-UHFFFAOYSA-N
XLogP1.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetic acid (CID 10330883) is 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetic acid?
The InChIKey is FTLUYABUJZUQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-5-6-11(7-8(12)13)9(14)15-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,12,13).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetic acid has a molecular weight of 215.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetic acid is sourced from PubChem (CID 10330883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).