2-[tert-butyl-[(2-hydroxycyclohexyl)carbamoyl]amino]acetic acid

C13H24N2O4 — CID 79257267

IUPAC2-[tert-butyl-[(2-hydroxycyclohexyl)carbamoyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NC1CCCCC1O
InChIInChI=1S/C13H24N2O4/c1-13(2,3)15(8-11(17)18)12(19)14-9-6-4-5-7-10(9)16/h9-10,16H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyREYDYXPBAMOQKY-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.18
Rot. Bonds3

About 2-[tert-butyl-[(2-hydroxycyclohexyl)carbamoyl]amino]acetic acid

2-[tert-butyl-[(2-hydroxycyclohexyl)carbamoyl]amino]acetic acid (PubChem CID 79257267) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[tert-butyl-[(2-hydroxycyclohexyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(2-hydroxycyclohexyl)carbamoyl]amino]acetic acid
PubChem CID79257267
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[tert-butyl-[(2-hydroxycyclohexyl)carbamoyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NC1CCCCC1O
InChIInChI=1S/C13H24N2O4/c1-13(2,3)15(8-11(17)18)12(19)14-9-6-4-5-7-10(9)16/h9-10,16H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyREYDYXPBAMOQKY-UHFFFAOYSA-N
XLogP1.18
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(2-hydroxycyclohexyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[(2-hydroxycyclohexyl)carbamoyl]amino]acetic acid (CID 79257267) is 2-[tert-butyl-[(2-hydroxycyclohexyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[(2-hydroxycyclohexyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[(2-hydroxycyclohexyl)carbamoyl]amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)NC1CCCCC1O.
What is the InChIKey of 2-[tert-butyl-[(2-hydroxycyclohexyl)carbamoyl]amino]acetic acid?
The InChIKey is REYDYXPBAMOQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)15(8-11(17)18)12(19)14-9-6-4-5-7-10(9)16/h9-10,16H,4-8H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 2-[tert-butyl-[(2-hydroxycyclohexyl)carbamoyl]amino]acetic acid?
2-[tert-butyl-[(2-hydroxycyclohexyl)carbamoyl]amino]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(2-hydroxycyclohexyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 79257267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).