bis(3-aminopropanoic acid);pyrazine

C10H18N4O4 — CID 122691194

IUPACbis(3-aminopropanoic acid);pyrazine
SMILESNCCC(=O)O.NCCC(=O)O.c1cnccn1
InChIInChI=1S/C4H4N2.2C3H7NO2/c1-2-6-4-3-5-1;2*4-2-1-3(5)6/h1-4H;2*1-2,4H2,(H,5,6)
InChIKeyJXRDBFFTDCZLQF-UHFFFAOYSA-N
MW258.28 g/mol
LogP-0.68
Rot. Bonds4

About bis(3-aminopropanoic acid);pyrazine

bis(3-aminopropanoic acid);pyrazine (PubChem CID 122691194) has the molecular formula C10H18N4O4 and a molecular weight of 258.28 g/mol. Its IUPAC name is bis(3-aminopropanoic acid);pyrazine.

Molecular Properties

Compound Namebis(3-aminopropanoic acid);pyrazine
PubChem CID122691194
Molecular FormulaC10H18N4O4
Molecular Weight258.28 g/mol
Exact Mass258.13
IUPAC Namebis(3-aminopropanoic acid);pyrazine
SMILESNCCC(=O)O.NCCC(=O)O.c1cnccn1
InChIInChI=1S/C4H4N2.2C3H7NO2/c1-2-6-4-3-5-1;2*4-2-1-3(5)6/h1-4H;2*1-2,4H2,(H,5,6)
InChIKeyJXRDBFFTDCZLQF-UHFFFAOYSA-N
XLogP-0.68
TPSA152.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-(15N)azanyl(113C)propanoic acid
CID 11366951
butanedioic acid;bis(pyridine)
CID 155388203
3-aminopropanoic acid;nitrous acid
CID 25232620
6-aminohexanoic acid;3-aminopropanoic acid
CID 87186200
CID 173009716
CID 173009716
bis(butanedioic acid);ethane-1,2-diamine;zinc
CID 173009719
azane;bis(butanedioic acid);ethane-1,2-diamine
CID 173216605
5-hydroxypentanoic acid;pyridine
CID 23505435
bis(dodecanoic acid);pyrazine
CID 139195059
propanedioic acid;bis(pyridine)
CID 173188950
bis(ethane-1,2-diamine);hexanedioic acid
CID 88762987
3-amino-3-deuteriopropanoic acid
CID 11829360

Frequently Asked Questions

What is the IUPAC name of bis(3-aminopropanoic acid);pyrazine?
The IUPAC name of bis(3-aminopropanoic acid);pyrazine (CID 122691194) is bis(3-aminopropanoic acid);pyrazine.
What is the SMILES notation for bis(3-aminopropanoic acid);pyrazine?
The canonical SMILES for bis(3-aminopropanoic acid);pyrazine is NCCC(=O)O.NCCC(=O)O.c1cnccn1.
What is the InChIKey of bis(3-aminopropanoic acid);pyrazine?
The InChIKey is JXRDBFFTDCZLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.2C3H7NO2/c1-2-6-4-3-5-1;2*4-2-1-3(5)6/h1-4H;2*1-2,4H2,(H,5,6).
What are the key properties of bis(3-aminopropanoic acid);pyrazine?
bis(3-aminopropanoic acid);pyrazine has a molecular weight of 258.28 g/mol, XLogP of -0.68, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-aminopropanoic acid);pyrazine is sourced from PubChem (CID 122691194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).