2-[(2-hydroxy-2-methylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

C11H21NO5 — CID 155858872

IUPAC2-[(2-hydroxy-2-methylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(O)CN(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5/c1-10(2,3)17-9(15)12(6-8(13)14)7-11(4,5)16/h16H,6-7H2,1-5H3,(H,13,14)
InChIKeyQUDNDVDFKVQILO-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.08
Rot. Bonds4

About 2-[(2-hydroxy-2-methylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

2-[(2-hydroxy-2-methylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 155858872) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID155858872
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name2-[(2-hydroxy-2-methylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(O)CN(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5/c1-10(2,3)17-9(15)12(6-8(13)14)7-11(4,5)16/h16H,6-7H2,1-5H3,(H,13,14)
InChIKeyQUDNDVDFKVQILO-UHFFFAOYSA-N
XLogP1.08
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 155858872) is 2-[(2-hydroxy-2-methylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is CC(C)(O)CN(CC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is QUDNDVDFKVQILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-10(2,3)17-9(15)12(6-8(13)14)7-11(4,5)16/h16H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
2-[(2-hydroxy-2-methylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 247.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 155858872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).