2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid

C12H22N2O5 — CID 79257258

IUPAC2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
SMILESCCOC(=O)C(C)NC(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C12H22N2O5/c1-6-19-10(17)8(2)13-11(18)14(7-9(15)16)12(3,4)5/h8H,6-7H2,1-5H3,(H,13,18)(H,15,16)
InChIKeyJDGRLTLRJIXQFK-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.83
Rot. Bonds5

About 2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid

2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid (PubChem CID 79257258) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
PubChem CID79257258
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
SMILESCCOC(=O)C(C)NC(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C12H22N2O5/c1-6-19-10(17)8(2)13-11(18)14(7-9(15)16)12(3,4)5/h8H,6-7H2,1-5H3,(H,13,18)(H,15,16)
InChIKeyJDGRLTLRJIXQFK-UHFFFAOYSA-N
XLogP0.83
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid (CID 79257258) is 2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid is CCOC(=O)C(C)NC(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid?
The InChIKey is JDGRLTLRJIXQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-6-19-10(17)8(2)13-11(18)14(7-9(15)16)12(3,4)5/h8H,6-7H2,1-5H3,(H,13,18)(H,15,16).
What are the key properties of 2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid?
2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 79257258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).