[(2R)-butan-2-yl] 2-amino-1-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

C19H24N4O2 — CID 944323

IUPAC[(2R)-butan-2-yl] 2-amino-1-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCC[C@@H](C)OC(=O)c1c(N)n([C@@H](C)CC)c2nc3ccccc3nc12
InChIInChI=1S/C19H24N4O2/c1-5-11(3)23-17(20)15(19(24)25-12(4)6-2)16-18(23)22-14-10-8-7-9-13(14)21-16/h7-12H,5-6,20H2,1-4H3/t11-,12+/m0/s1
InChIKeyMXHWYMCDLGFBJF-NWDGAFQWSA-N
MW340.43 g/mol
LogP4.09
Rot. Bonds5

About [(2R)-butan-2-yl] 2-amino-1-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

[(2R)-butan-2-yl] 2-amino-1-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 944323) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [(2R)-butan-2-yl] 2-amino-1-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Name[(2R)-butan-2-yl] 2-amino-1-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID944323
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[(2R)-butan-2-yl] 2-amino-1-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCC[C@@H](C)OC(=O)c1c(N)n([C@@H](C)CC)c2nc3ccccc3nc12
InChIInChI=1S/C19H24N4O2/c1-5-11(3)23-17(20)15(19(24)25-12(4)6-2)16-18(23)22-14-10-8-7-9-13(14)21-16/h7-12H,5-6,20H2,1-4H3/t11-,12+/m0/s1
InChIKeyMXHWYMCDLGFBJF-NWDGAFQWSA-N
XLogP4.09
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-butan-2-yl] 2-amino-1-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[(2S)-butan-2-yl] 2-amino-1-propylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 943166
[(2R)-butan-2-yl] 2-amino-1-(3,4-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 40517555
[(2R)-butan-2-yl] 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 944403
[(2R)-butan-2-yl] 2-amino-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 40852222
[(2S)-butan-2-yl] 2-amino-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 40852223
[(2S)-butan-2-yl] 2-amino-1-(4-chlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2009033
ethyl 2-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2429301
butan-2-yl 2-amino-1-(3-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 4233482
[(2S)-butan-2-yl] 2-amino-1-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2008652
methyl 2-amino-1-(7-methyloctan-2-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 4162353
[(2S)-oxolan-2-yl]methyl 2-amino-1-[(2R)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 7529854
[(2S)-butan-2-yl] 2-amino-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 7523573

Frequently Asked Questions

What is the IUPAC name of [(2R)-butan-2-yl] 2-amino-1-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of [(2R)-butan-2-yl] 2-amino-1-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 944323) is [(2R)-butan-2-yl] 2-amino-1-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for [(2R)-butan-2-yl] 2-amino-1-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for [(2R)-butan-2-yl] 2-amino-1-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate is CC[C@@H](C)OC(=O)c1c(N)n([C@@H](C)CC)c2nc3ccccc3nc12.
What is the InChIKey of [(2R)-butan-2-yl] 2-amino-1-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is MXHWYMCDLGFBJF-NWDGAFQWSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-5-11(3)23-17(20)15(19(24)25-12(4)6-2)16-18(23)22-14-10-8-7-9-13(14)21-16/h7-12H,5-6,20H2,1-4H3/t11-,12+/m0/s1.
What are the key properties of [(2R)-butan-2-yl] 2-amino-1-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
[(2R)-butan-2-yl] 2-amino-1-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 340.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-butan-2-yl] 2-amino-1-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 944323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).