2-[(5-tert-butylpyridine-2-carbonyl)-cyclopropylamino]acetic acid

C15H20N2O3 — CID 122107349

IUPAC2-[(5-tert-butylpyridine-2-carbonyl)-cyclopropylamino]acetic acid
SMILESCC(C)(C)c1ccc(C(=O)N(CC(=O)O)C2CC2)nc1
InChIInChI=1S/C15H20N2O3/c1-15(2,3)10-4-7-12(16-8-10)14(20)17(9-13(18)19)11-5-6-11/h4,7-8,11H,5-6,9H2,1-3H3,(H,18,19)
InChIKeyMIYNMQXPUUULAO-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.07
Rot. Bonds4

About 2-[(5-tert-butylpyridine-2-carbonyl)-cyclopropylamino]acetic acid

2-[(5-tert-butylpyridine-2-carbonyl)-cyclopropylamino]acetic acid (PubChem CID 122107349) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(5-tert-butylpyridine-2-carbonyl)-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-tert-butylpyridine-2-carbonyl)-cyclopropylamino]acetic acid
PubChem CID122107349
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[(5-tert-butylpyridine-2-carbonyl)-cyclopropylamino]acetic acid
SMILESCC(C)(C)c1ccc(C(=O)N(CC(=O)O)C2CC2)nc1
InChIInChI=1S/C15H20N2O3/c1-15(2,3)10-4-7-12(16-8-10)14(20)17(9-13(18)19)11-5-6-11/h4,7-8,11H,5-6,9H2,1-3H3,(H,18,19)
InChIKeyMIYNMQXPUUULAO-UHFFFAOYSA-N
XLogP2.07
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122111308
6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid
CID 54995273
2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid
CID 119194565
2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid
CID 115596384
2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid
CID 60825684
2-[cyclopropyl(quinoline-2-carbonyl)amino]acetic acid
CID 60825209
5-bromo-N-cyclopropyl-N-ethylpyridine-2-carboxamide
CID 62953692
2-[cyclopropyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 63852185
2-[tert-butyl-(5-fluoropyridine-2-carbonyl)amino]acetic acid
CID 113435829
5-tert-butyl-N-hydroxypyridine-2-carboxamide
CID 155087996
2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 119211285
5-[carboxymethyl-[1-(ethylcarbamoyl)piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid
CID 120820468

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butylpyridine-2-carbonyl)-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(5-tert-butylpyridine-2-carbonyl)-cyclopropylamino]acetic acid (CID 122107349) is 2-[(5-tert-butylpyridine-2-carbonyl)-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(5-tert-butylpyridine-2-carbonyl)-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(5-tert-butylpyridine-2-carbonyl)-cyclopropylamino]acetic acid is CC(C)(C)c1ccc(C(=O)N(CC(=O)O)C2CC2)nc1.
What is the InChIKey of 2-[(5-tert-butylpyridine-2-carbonyl)-cyclopropylamino]acetic acid?
The InChIKey is MIYNMQXPUUULAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,3)10-4-7-12(16-8-10)14(20)17(9-13(18)19)11-5-6-11/h4,7-8,11H,5-6,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[(5-tert-butylpyridine-2-carbonyl)-cyclopropylamino]acetic acid?
2-[(5-tert-butylpyridine-2-carbonyl)-cyclopropylamino]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butylpyridine-2-carbonyl)-cyclopropylamino]acetic acid is sourced from PubChem (CID 122107349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).