2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid

C15H22N4O3 — CID 122089391

IUPAC2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)Nc2cccc(C)n2)C1
InChIInChI=1S/C15H22N4O3/c1-3-19(9-14(20)21)12-7-11(8-12)17-15(22)18-13-6-4-5-10(2)16-13/h4-6,11-12H,3,7-9H2,1-2H3,(H,20,21)(H2,16,17,18,22)
InChIKeyQBDLZYUGVBBDGX-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.45
Rot. Bonds6

About 2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid (PubChem CID 122089391) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid
PubChem CID122089391
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)Nc2cccc(C)n2)C1
InChIInChI=1S/C15H22N4O3/c1-3-19(9-14(20)21)12-7-11(8-12)17-15(22)18-13-6-4-5-10(2)16-13/h4-6,11-12H,3,7-9H2,1-2H3,(H,20,21)(H2,16,17,18,22)
InChIKeyQBDLZYUGVBBDGX-UHFFFAOYSA-N
XLogP1.45
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122094279
2-[ethyl-[3-[(3-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073438
2-[ethyl-[3-[(2-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073443
2-[ethyl-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122089582
2-[[3-[(4-chlorophenyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122073561
2-[[3-(1-benzothiophen-7-ylcarbamoylamino)cyclobutyl]-ethylamino]acetic acid
CID 122087496
2-[ethyl-[3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122084823
2-[[3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122073682
2-[ethyl-[3-[(2-fluoro-3-methoxycarbonylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122095054
2-[ethyl-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122093398
2-[ethyl-[3-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122084973
2-[[3-(1-benzofuran-6-ylcarbamoylamino)cyclobutyl]-ethylamino]acetic acid
CID 122094518

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid (CID 122089391) is 2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)Nc2cccc(C)n2)C1.
What is the InChIKey of 2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid?
The InChIKey is QBDLZYUGVBBDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-3-19(9-14(20)21)12-7-11(8-12)17-15(22)18-13-6-4-5-10(2)16-13/h4-6,11-12H,3,7-9H2,1-2H3,(H,20,21)(H2,16,17,18,22).
What are the key properties of 2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid has a molecular weight of 306.37 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122089391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).