2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetic acid

C12H21NO5 — CID 22309198

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)O)C1CCOCC1
InChIInChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-9(10(14)15)8-4-6-17-7-5-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyMAJWUTNRLZHCBX-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.39
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetic acid (PubChem CID 22309198) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetic acid
PubChem CID22309198
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)O)C1CCOCC1
InChIInChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-9(10(14)15)8-4-6-17-7-5-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyMAJWUTNRLZHCBX-UHFFFAOYSA-N
XLogP1.39
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetic acid (CID 22309198) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetic acid is CC(C)(C)OC(=O)NC(C(=O)O)C1CCOCC1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetic acid?
The InChIKey is MAJWUTNRLZHCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-9(10(14)15)8-4-6-17-7-5-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetic acid has a molecular weight of 259.30 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetic acid is sourced from PubChem (CID 22309198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).