2-[propan-2-yl(quinoxalin-2-yl)amino]acetic acid

C13H15N3O2 — CID 55064039

IUPAC2-[propan-2-yl(quinoxalin-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)c1cnc2ccccc2n1
InChIInChI=1S/C13H15N3O2/c1-9(2)16(8-13(17)18)12-7-14-10-5-3-4-6-11(10)15-12/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyYBFRLZGYVCCMJX-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.93
Rot. Bonds4

About 2-[propan-2-yl(quinoxalin-2-yl)amino]acetic acid

2-[propan-2-yl(quinoxalin-2-yl)amino]acetic acid (PubChem CID 55064039) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[propan-2-yl(quinoxalin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl(quinoxalin-2-yl)amino]acetic acid
PubChem CID55064039
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[propan-2-yl(quinoxalin-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)c1cnc2ccccc2n1
InChIInChI=1S/C13H15N3O2/c1-9(2)16(8-13(17)18)12-7-14-10-5-3-4-6-11(10)15-12/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyYBFRLZGYVCCMJX-UHFFFAOYSA-N
XLogP1.93
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(quinoxalin-2-yl)amino]acetic acid
CID 55064040
N-(3-bromopropyl)-N-propan-2-ylquinoxalin-2-amine
CID 80674790
N-(piperidin-4-ylmethyl)-N-propan-2-ylquinoxalin-2-amine
CID 79705201
2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid
CID 62359121
4-[methyl(quinoxalin-2-yl)amino]butanoic acid
CID 62361159
2-[methyl(quinoxalin-2-yl)amino]propan-1-ol
CID 115765248
N-(2-bromopropyl)-N-methylquinoxalin-2-amine
CID 80671714
methyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate
CID 62005546
2-[2-[2-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]ethoxy]ethyl-propan-2-ylamino]acetic acid
CID 134217170
(2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid
CID 124512095
(E)-3-[3-[carboxymethyl(quinoxalin-2-yl)amino]phenyl]prop-2-enoic acid
CID 141434986
2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
CID 64586044

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(quinoxalin-2-yl)amino]acetic acid?
The IUPAC name of 2-[propan-2-yl(quinoxalin-2-yl)amino]acetic acid (CID 55064039) is 2-[propan-2-yl(quinoxalin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl(quinoxalin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl(quinoxalin-2-yl)amino]acetic acid is CC(C)N(CC(=O)O)c1cnc2ccccc2n1.
What is the InChIKey of 2-[propan-2-yl(quinoxalin-2-yl)amino]acetic acid?
The InChIKey is YBFRLZGYVCCMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(2)16(8-13(17)18)12-7-14-10-5-3-4-6-11(10)15-12/h3-7,9H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[propan-2-yl(quinoxalin-2-yl)amino]acetic acid?
2-[propan-2-yl(quinoxalin-2-yl)amino]acetic acid has a molecular weight of 245.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(quinoxalin-2-yl)amino]acetic acid is sourced from PubChem (CID 55064039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).