2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

C15H19NO4 — CID 154723642

IUPAC2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)O)C12C3C4C5C3C1C5C42
InChIInChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-11(12(17)18)15-8-5-4-6(8)10(15)7(4)9(5)15/h4-11H,1-3H3,(H,16,19)(H,17,18)
InChIKeyHRTDBFFFLMHCJS-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.33
Rot. Bonds3

About 2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (PubChem CID 154723642) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
PubChem CID154723642
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)O)C12C3C4C5C3C1C5C42
InChIInChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-11(12(17)18)15-8-5-4-6(8)10(15)7(4)9(5)15/h4-11H,1-3H3,(H,16,19)(H,17,18)
InChIKeyHRTDBFFFLMHCJS-UHFFFAOYSA-N
XLogP1.33
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-[carboxy-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid
CID 19986920
(2S)-2-(1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 11738405
(2R)-2-(1-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 67052824
(2S)-2-[(3R,5S)-3,5-dihydroxy-1-adamantyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 11450683
2-(3,5-dimethyl-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 23596412
2-(2-hydroxy-2-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 22250556
(2R)-2-(1-bicyclo[2.2.1]heptanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 124585575
(2S)-2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 11267340
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
bicyclo[1.1.1]pentane-1-carbaldehyde;2-(1-bicyclo[1.1.1]pentanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 160675288
2-[1-(1-fluoroethenyl)cyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 88980683
2-(4-ethyloxan-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 11231522

Frequently Asked Questions

What is the IUPAC name of 2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The IUPAC name of 2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (CID 154723642) is 2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.
What is the SMILES notation for 2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The canonical SMILES for 2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is CC(C)(C)OC(=O)NC(C(=O)O)C12C3C4C5C3C1C5C42.
What is the InChIKey of 2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The InChIKey is HRTDBFFFLMHCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-11(12(17)18)15-8-5-4-6(8)10(15)7(4)9(5)15/h4-11H,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 154723642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).