5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid

C9H13N3O4 — CID 106190134

IUPAC5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid
SMILESCOCC(CO)Nc1cnc(C(=O)O)cn1
InChIInChI=1S/C9H13N3O4/c1-16-5-6(4-13)12-8-3-10-7(2-11-8)9(14)15/h2-3,6,13H,4-5H2,1H3,(H,11,12)(H,14,15)
InChIKeyZGNBVWOCSXCPFM-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.41
Rot. Bonds6

About 5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid

5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid (PubChem CID 106190134) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid
PubChem CID106190134
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid
SMILESCOCC(CO)Nc1cnc(C(=O)O)cn1
InChIInChI=1S/C9H13N3O4/c1-16-5-6(4-13)12-8-3-10-7(2-11-8)9(14)15/h2-3,6,13H,4-5H2,1H3,(H,11,12)(H,14,15)
InChIKeyZGNBVWOCSXCPFM-UHFFFAOYSA-N
XLogP-0.41
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate
CID 114093867
2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]pyrimidine-5-carboxylic acid
CID 167880425
2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol
CID 106186351
5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid
CID 82949530
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid
CID 106197957
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 107372363
5-[1-(4-propoxyphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 122053445
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid
CID 106190136
5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
CID 104765944
5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685418
5-[4-(4-methoxyphenyl)butan-2-ylamino]pyrazine-2-carboxylic acid
CID 122047940
5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 114919705

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid (CID 106190134) is 5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid is COCC(CO)Nc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid?
The InChIKey is ZGNBVWOCSXCPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-16-5-6(4-13)12-8-3-10-7(2-11-8)9(14)15/h2-3,6,13H,4-5H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid?
5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid has a molecular weight of 227.22 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 106190134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).