(2R)-6-amino-2-formamido-2-[(2-methylpropan-2-yl)oxy]hexanoic acid

C11H22N2O4 — CID 175586992

IUPAC(2R)-6-amino-2-formamido-2-[(2-methylpropan-2-yl)oxy]hexanoic acid
SMILESCC(C)(C)O[C@@](CCCCN)(NC=O)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-10(2,3)17-11(9(15)16,13-8-14)6-4-5-7-12/h8H,4-7,12H2,1-3H3,(H,13,14)(H,15,16)/t11-/m1/s1
InChIKeyCKMXVIBBOFWTFJ-LLVKDONJSA-N
MW246.31 g/mol
LogP0.46
Rot. Bonds8

About (2R)-6-amino-2-formamido-2-[(2-methylpropan-2-yl)oxy]hexanoic acid

(2R)-6-amino-2-formamido-2-[(2-methylpropan-2-yl)oxy]hexanoic acid (PubChem CID 175586992) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2R)-6-amino-2-formamido-2-[(2-methylpropan-2-yl)oxy]hexanoic acid.

Molecular Properties

Compound Name(2R)-6-amino-2-formamido-2-[(2-methylpropan-2-yl)oxy]hexanoic acid
PubChem CID175586992
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name(2R)-6-amino-2-formamido-2-[(2-methylpropan-2-yl)oxy]hexanoic acid
SMILESCC(C)(C)O[C@@](CCCCN)(NC=O)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-10(2,3)17-11(9(15)16,13-8-14)6-4-5-7-12/h8H,4-7,12H2,1-3H3,(H,13,14)(H,15,16)/t11-/m1/s1
InChIKeyCKMXVIBBOFWTFJ-LLVKDONJSA-N
XLogP0.46
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2R)-6-amino-2-formamido-2-[(2-methylpropan-2-yl)oxy]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-6-amino-2-formamido-2-[(2-methylpropan-2-yl)oxy]hexanoic acid?
The IUPAC name of (2R)-6-amino-2-formamido-2-[(2-methylpropan-2-yl)oxy]hexanoic acid (CID 175586992) is (2R)-6-amino-2-formamido-2-[(2-methylpropan-2-yl)oxy]hexanoic acid.
What is the SMILES notation for (2R)-6-amino-2-formamido-2-[(2-methylpropan-2-yl)oxy]hexanoic acid?
The canonical SMILES for (2R)-6-amino-2-formamido-2-[(2-methylpropan-2-yl)oxy]hexanoic acid is CC(C)(C)O[C@@](CCCCN)(NC=O)C(=O)O.
What is the InChIKey of (2R)-6-amino-2-formamido-2-[(2-methylpropan-2-yl)oxy]hexanoic acid?
The InChIKey is CKMXVIBBOFWTFJ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-10(2,3)17-11(9(15)16,13-8-14)6-4-5-7-12/h8H,4-7,12H2,1-3H3,(H,13,14)(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-6-amino-2-formamido-2-[(2-methylpropan-2-yl)oxy]hexanoic acid?
(2R)-6-amino-2-formamido-2-[(2-methylpropan-2-yl)oxy]hexanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-amino-2-formamido-2-[(2-methylpropan-2-yl)oxy]hexanoic acid is sourced from PubChem (CID 175586992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).