2-[butan-2-yl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid

C15H27NO4 — CID 119954564

IUPAC2-[butan-2-yl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)COC1CCCCC1C
InChIInChI=1S/C15H27NO4/c1-4-12(3)16(9-15(18)19)14(17)10-20-13-8-6-5-7-11(13)2/h11-13H,4-10H2,1-3H3,(H,18,19)
InChIKeyZEZCEAOONJTVOY-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.29
Rot. Bonds7

About 2-[butan-2-yl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid

2-[butan-2-yl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid (PubChem CID 119954564) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid
PubChem CID119954564
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-[butan-2-yl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)COC1CCCCC1C
InChIInChI=1S/C15H27NO4/c1-4-12(3)16(9-15(18)19)14(17)10-20-13-8-6-5-7-11(13)2/h11-13H,4-10H2,1-3H3,(H,18,19)
InChIKeyZEZCEAOONJTVOY-UHFFFAOYSA-N
XLogP2.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid (CID 119954564) is 2-[butan-2-yl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)COC1CCCCC1C.
What is the InChIKey of 2-[butan-2-yl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid?
The InChIKey is ZEZCEAOONJTVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-4-12(3)16(9-15(18)19)14(17)10-20-13-8-6-5-7-11(13)2/h11-13H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[butan-2-yl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid?
2-[butan-2-yl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid has a molecular weight of 285.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid is sourced from PubChem (CID 119954564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).