2-[cyclopropylmethyl-[3-(quinoxalin-2-ylamino)cyclobutyl]amino]acetic acid

C18H22N4O2 — CID 122061367

IUPAC2-[cyclopropylmethyl-[3-(quinoxalin-2-ylamino)cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(Nc2cnc3ccccc3n2)C1
InChIInChI=1S/C18H22N4O2/c23-18(24)11-22(10-12-5-6-12)14-7-13(8-14)20-17-9-19-15-3-1-2-4-16(15)21-17/h1-4,9,12-14H,5-8,10-11H2,(H,20,21)(H,23,24)
InChIKeyWEBPFXSCBZRGID-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.37
Rot. Bonds7

About 2-[cyclopropylmethyl-[3-(quinoxalin-2-ylamino)cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-(quinoxalin-2-ylamino)cyclobutyl]amino]acetic acid (PubChem CID 122061367) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-(quinoxalin-2-ylamino)cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-(quinoxalin-2-ylamino)cyclobutyl]amino]acetic acid
PubChem CID122061367
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[cyclopropylmethyl-[3-(quinoxalin-2-ylamino)cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(Nc2cnc3ccccc3n2)C1
InChIInChI=1S/C18H22N4O2/c23-18(24)11-22(10-12-5-6-12)14-7-13(8-14)20-17-9-19-15-3-1-2-4-16(15)21-17/h1-4,9,12-14H,5-8,10-11H2,(H,20,21)(H,23,24)
InChIKeyWEBPFXSCBZRGID-UHFFFAOYSA-N
XLogP2.37
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid
CID 122061370
2-[cyclopropylmethyl-[3-[(2-cyclopropylpyrimidin-4-yl)amino]cyclobutyl]amino]acetic acid
CID 122061395
2-[cyclopropylmethyl-[3-[(5-nitro-2-pyridinyl)amino]cyclobutyl]amino]acetic acid
CID 122061569
2-[cyclopropylmethyl-[3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]cyclobutyl]amino]acetic acid
CID 122061323
2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid
CID 62359121
2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061780
2-[cyclopropylmethyl-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid
CID 122061530
2-[cyclopropylmethyl-[3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid
CID 122061382
2-[cyclopropylmethyl-[3-[(6-nitro-3-pyridinyl)amino]cyclobutyl]amino]acetic acid
CID 122061151
2-[[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122061500
2-[cyclopropylmethyl-[3-[(4,6-dimethoxypyrimidin-2-yl)amino]cyclobutyl]amino]acetic acid
CID 122061350
2-[cyclopropylmethyl-[3-[(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)amino]cyclobutyl]amino]acetic acid
CID 122061224

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-(quinoxalin-2-ylamino)cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-(quinoxalin-2-ylamino)cyclobutyl]amino]acetic acid (CID 122061367) is 2-[cyclopropylmethyl-[3-(quinoxalin-2-ylamino)cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-(quinoxalin-2-ylamino)cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-(quinoxalin-2-ylamino)cyclobutyl]amino]acetic acid is O=C(O)CN(CC1CC1)C1CC(Nc2cnc3ccccc3n2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-(quinoxalin-2-ylamino)cyclobutyl]amino]acetic acid?
The InChIKey is WEBPFXSCBZRGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(24)11-22(10-12-5-6-12)14-7-13(8-14)20-17-9-19-15-3-1-2-4-16(15)21-17/h1-4,9,12-14H,5-8,10-11H2,(H,20,21)(H,23,24).
What are the key properties of 2-[cyclopropylmethyl-[3-(quinoxalin-2-ylamino)cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-(quinoxalin-2-ylamino)cyclobutyl]amino]acetic acid has a molecular weight of 326.40 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-(quinoxalin-2-ylamino)cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122061367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).