2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]propanoic acid

C20H30N4O6 — CID 170880656

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]propanoic acid
SMILESCC(C)(C)OC(=O)NC(CC1Cc2nccnc2CN1C(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C20H30N4O6/c1-19(2,3)29-17(27)23-14(16(25)26)10-12-9-13-15(22-8-7-21-13)11-24(12)18(28)30-20(4,5)6/h7-8,12,14H,9-11H2,1-6H3,(H,23,27)(H,25,26)
InChIKeyFQEOGLPHEXJMOR-UHFFFAOYSA-N
MW422.48 g/mol
LogP2.51
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]propanoic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]propanoic acid (PubChem CID 170880656) has the molecular formula C20H30N4O6 and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]propanoic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]propanoic acid
PubChem CID170880656
Molecular FormulaC20H30N4O6
Molecular Weight422.48 g/mol
Exact Mass422.22
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]propanoic acid
SMILESCC(C)(C)OC(=O)NC(CC1Cc2nccnc2CN1C(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C20H30N4O6/c1-19(2,3)29-17(27)23-14(16(25)26)10-12-9-13-15(22-8-7-21-13)11-24(12)18(28)30-20(4,5)6/h7-8,12,14H,9-11H2,1-6H3,(H,23,27)(H,25,26)
InChIKeyFQEOGLPHEXJMOR-UHFFFAOYSA-N
XLogP2.51
TPSA130.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]propanoic acid 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)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid
CID 7019673
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(pyridin-2-ylmethylsulfanyl)propanoic acid
CID 66972690
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(1R,4R,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]propanoic acid
CID 175904575
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 1268233
(2S)-3-(1-deuteriocyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrate
CID 140883558
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]butanoic acid
CID 101030684
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrrolidin-3-yl)propanoic acid
CID 84713340
tert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 162342912
(2S)-2-[[(6S)-3,5-bis[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carbonyl]amino]butanedioic acid
CID 141307045
(2R)-3-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2724757
ethane;3-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 176967438

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]propanoic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]propanoic acid (CID 170880656) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]propanoic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]propanoic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]propanoic acid is CC(C)(C)OC(=O)NC(CC1Cc2nccnc2CN1C(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]propanoic acid?
The InChIKey is FQEOGLPHEXJMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O6/c1-19(2,3)29-17(27)23-14(16(25)26)10-12-9-13-15(22-8-7-21-13)11-24(12)18(28)30-20(4,5)6/h7-8,12,14H,9-11H2,1-6H3,(H,23,27)(H,25,26).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]propanoic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]propanoic acid has a molecular weight of 422.48 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]propanoic acid is sourced from PubChem (CID 170880656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).