(2R)-2-cyclohexyl-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid

C12H21NO4 — CID 11447897

IUPAC(2R)-2-cyclohexyl-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid
SMILESCCOC(=O)CN[C@@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C12H21NO4/c1-2-17-10(14)8-13-11(12(15)16)9-6-4-3-5-7-9/h9,11,13H,2-8H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyXOVCRZJRCJONHL-LLVKDONJSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds6

About (2R)-2-cyclohexyl-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid

(2R)-2-cyclohexyl-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid (PubChem CID 11447897) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid
PubChem CID11447897
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(2R)-2-cyclohexyl-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid
SMILESCCOC(=O)CN[C@@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C12H21NO4/c1-2-17-10(14)8-13-11(12(15)16)9-6-4-3-5-7-9/h9,11,13H,2-8H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyXOVCRZJRCJONHL-LLVKDONJSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid?
The IUPAC name of (2R)-2-cyclohexyl-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid (CID 11447897) is (2R)-2-cyclohexyl-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-cyclohexyl-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid?
The canonical SMILES for (2R)-2-cyclohexyl-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid is CCOC(=O)CN[C@@H](C(=O)O)C1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexyl-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid?
The InChIKey is XOVCRZJRCJONHL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-17-10(14)8-13-11(12(15)16)9-6-4-3-5-7-9/h9,11,13H,2-8H2,1H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-cyclohexyl-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid?
(2R)-2-cyclohexyl-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid has a molecular weight of 243.30 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid is sourced from PubChem (CID 11447897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).