2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid

C18H27N3O3 — CID 122111308

IUPAC2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)c2ccc(C(C)(C)C)cn2)C1
InChIInChI=1S/C18H27N3O3/c1-5-21(11-16(22)23)14-8-13(9-14)20-17(24)15-7-6-12(10-19-15)18(2,3)4/h6-7,10,13-14H,5,8-9,11H2,1-4H3,(H,20,24)(H,22,23)
InChIKeyOICSUVHPJPOULY-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.05
Rot. Bonds6

About 2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122111308) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122111308
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)c2ccc(C(C)(C)C)cn2)C1
InChIInChI=1S/C18H27N3O3/c1-5-21(11-16(22)23)14-8-13(9-14)20-17(24)15-7-6-12(10-19-15)18(2,3)4/h6-7,10,13-14H,5,8-9,11H2,1-4H3,(H,20,24)(H,22,23)
InChIKeyOICSUVHPJPOULY-UHFFFAOYSA-N
XLogP2.05
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid (CID 122111308) is 2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)c2ccc(C(C)(C)C)cn2)C1.
What is the InChIKey of 2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is OICSUVHPJPOULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-5-21(11-16(22)23)14-8-13(9-14)20-17(24)15-7-6-12(10-19-15)18(2,3)4/h6-7,10,13-14H,5,8-9,11H2,1-4H3,(H,20,24)(H,22,23).
What are the key properties of 2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 333.43 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122111308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).