2-[tert-butyl-(2-methoxycarbonyl-4-pyridinyl)amino]acetic acid

C13H18N2O4 — CID 79269082

IUPAC2-[tert-butyl-(2-methoxycarbonyl-4-pyridinyl)amino]acetic acid
SMILESCOC(=O)c1cc(N(CC(=O)O)C(C)(C)C)ccn1
InChIInChI=1S/C13H18N2O4/c1-13(2,3)15(8-11(16)17)9-5-6-14-10(7-9)12(18)19-4/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyMHZCXYHFPLTOBV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.56
Rot. Bonds4

About 2-[tert-butyl-(2-methoxycarbonyl-4-pyridinyl)amino]acetic acid

2-[tert-butyl-(2-methoxycarbonyl-4-pyridinyl)amino]acetic acid (PubChem CID 79269082) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[tert-butyl-(2-methoxycarbonyl-4-pyridinyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-(2-methoxycarbonyl-4-pyridinyl)amino]acetic acid
PubChem CID79269082
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[tert-butyl-(2-methoxycarbonyl-4-pyridinyl)amino]acetic acid
SMILESCOC(=O)c1cc(N(CC(=O)O)C(C)(C)C)ccn1
InChIInChI=1S/C13H18N2O4/c1-13(2,3)15(8-11(16)17)9-5-6-14-10(7-9)12(18)19-4/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyMHZCXYHFPLTOBV-UHFFFAOYSA-N
XLogP1.56
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(2-methoxycarbonyl-4-pyridinyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl-(2-methoxycarbonyl-4-pyridinyl)amino]acetic acid (CID 79269082) is 2-[tert-butyl-(2-methoxycarbonyl-4-pyridinyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-(2-methoxycarbonyl-4-pyridinyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-(2-methoxycarbonyl-4-pyridinyl)amino]acetic acid is COC(=O)c1cc(N(CC(=O)O)C(C)(C)C)ccn1.
What is the InChIKey of 2-[tert-butyl-(2-methoxycarbonyl-4-pyridinyl)amino]acetic acid?
The InChIKey is MHZCXYHFPLTOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2,3)15(8-11(16)17)9-5-6-14-10(7-9)12(18)19-4/h5-7H,8H2,1-4H3,(H,16,17).
What are the key properties of 2-[tert-butyl-(2-methoxycarbonyl-4-pyridinyl)amino]acetic acid?
2-[tert-butyl-(2-methoxycarbonyl-4-pyridinyl)amino]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(2-methoxycarbonyl-4-pyridinyl)amino]acetic acid is sourced from PubChem (CID 79269082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).