[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate

C16H17N3O3 — CID 7950036

IUPAC[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)O[C@H](C)C(=O)NCc2ccccc2)cn1
InChIInChI=1S/C16H17N3O3/c1-11-8-18-14(10-17-11)16(21)22-12(2)15(20)19-9-13-6-4-3-5-7-13/h3-8,10,12H,9H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyXDPSAMWWHURNBL-GFCCVEGCSA-N
MW299.33 g/mol
LogP1.65
Rot. Bonds5

About [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate

[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate (PubChem CID 7950036) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
PubChem CID7950036
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)O[C@H](C)C(=O)NCc2ccccc2)cn1
InChIInChI=1S/C16H17N3O3/c1-11-8-18-14(10-17-11)16(21)22-12(2)15(20)19-9-13-6-4-3-5-7-13/h3-8,10,12H,9H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyXDPSAMWWHURNBL-GFCCVEGCSA-N
XLogP1.65
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-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

[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 7760510
(1-oxo-1-phenylpropan-2-yl) 5-methylpyrazine-2-carboxylate
CID 16578129
[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 6915447
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7504742
[1-(4-fluoroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 18078044
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 7663588
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate
CID 7676841
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477368
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7195012
[1-(benzylamino)-1-oxopropan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 46459431
[1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 42972971
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506948

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate (CID 7950036) is [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)O[C@H](C)C(=O)NCc2ccccc2)cn1.
What is the InChIKey of [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate?
The InChIKey is XDPSAMWWHURNBL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-8-18-14(10-17-11)16(21)22-12(2)15(20)19-9-13-6-4-3-5-7-13/h3-8,10,12H,9H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate?
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 7950036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).