2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoic acid

C10H16N2O5 — CID 86216151

IUPAC2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoic acid
SMILESC=C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H16N2O5/c1-6(8(14)15)12-7(13)5-11-9(16)17-10(2,3)4/h1,5H2,2-4H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyUKIOOLJRTVTLBT-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.23
Rot. Bonds4

About 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoic acid

2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoic acid (PubChem CID 86216151) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoic acid
PubChem CID86216151
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoic acid
SMILESC=C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H16N2O5/c1-6(8(14)15)12-7(13)5-11-9(16)17-10(2,3)4/h1,5H2,2-4H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyUKIOOLJRTVTLBT-UHFFFAOYSA-N
XLogP0.23
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoic acid?
The IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoic acid (CID 86216151) is 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoic acid.
What is the SMILES notation for 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoic acid?
The canonical SMILES for 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoic acid is C=C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoic acid?
The InChIKey is UKIOOLJRTVTLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-6(8(14)15)12-7(13)5-11-9(16)17-10(2,3)4/h1,5H2,2-4H3,(H,11,16)(H,12,13)(H,14,15).
What are the key properties of 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoic acid?
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoic acid has a molecular weight of 244.25 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoic acid is sourced from PubChem (CID 86216151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).