2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid

C19H24N4O2 — CID 122061370

IUPAC2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid
SMILESCc1nc2ccccc2nc1NC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C19H24N4O2/c1-12-19(22-17-5-3-2-4-16(17)20-12)21-14-8-15(9-14)23(11-18(24)25)10-13-6-7-13/h2-5,13-15H,6-11H2,1H3,(H,21,22)(H,24,25)
InChIKeyARNZMHZDQAQAII-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.68
Rot. Bonds7

About 2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid (PubChem CID 122061370) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid
PubChem CID122061370
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid
SMILESCc1nc2ccccc2nc1NC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C19H24N4O2/c1-12-19(22-17-5-3-2-4-16(17)20-12)21-14-8-15(9-14)23(11-18(24)25)10-13-6-7-13/h2-5,13-15H,6-11H2,1H3,(H,21,22)(H,24,25)
InChIKeyARNZMHZDQAQAII-UHFFFAOYSA-N
XLogP2.68
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid (CID 122061370) is 2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid is Cc1nc2ccccc2nc1NC1CC(N(CC(=O)O)CC2CC2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid?
The InChIKey is ARNZMHZDQAQAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-19(22-17-5-3-2-4-16(17)20-12)21-14-8-15(9-14)23(11-18(24)25)10-13-6-7-13/h2-5,13-15H,6-11H2,1H3,(H,21,22)(H,24,25).
What are the key properties of 2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid has a molecular weight of 340.43 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122061370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).