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

C14H15N3O2 — CID 62359121

IUPAC2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)c1cnc2ccccc2n1
InChIInChI=1S/C14H15N3O2/c18-14(19)9-17(8-10-5-6-10)13-7-15-11-3-1-2-4-12(11)16-13/h1-4,7,10H,5-6,8-9H2,(H,18,19)
InChIKeyIMFKPMMGBLNTFP-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.93
Rot. Bonds5

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

2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid (PubChem CID 62359121) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid
PubChem CID62359121
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)c1cnc2ccccc2n1
InChIInChI=1S/C14H15N3O2/c18-14(19)9-17(8-10-5-6-10)13-7-15-11-3-1-2-4-12(11)16-13/h1-4,7,10H,5-6,8-9H2,(H,18,19)
InChIKeyIMFKPMMGBLNTFP-UHFFFAOYSA-N
XLogP1.93
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid (CID 62359121) is 2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid is O=C(O)CN(CC1CC1)c1cnc2ccccc2n1.
What is the InChIKey of 2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid?
The InChIKey is IMFKPMMGBLNTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(19)9-17(8-10-5-6-10)13-7-15-11-3-1-2-4-12(11)16-13/h1-4,7,10H,5-6,8-9H2,(H,18,19).
What are the key properties of 2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid?
2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid is sourced from PubChem (CID 62359121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).