2-aminobutanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid

C8H16N4O6 — CID 10286051

IUPAC2-aminobutanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid
SMILESNC(CC(=O)O)C(=O)O.[H]/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C4H9N3O2.C4H7NO4/c1-7(4(5)6)2-3(8)9;5-2(4(8)9)1-3(6)7/h2H2,1H3,(H3,5,6)(H,8,9);2H,1,5H2,(H,6,7)(H,8,9)
InChIKeyOYJBHPWGIDGWFV-UHFFFAOYSA-N
MW264.24 g/mol
LogP-2.23
Rot. Bonds5

About 2-aminobutanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid

2-aminobutanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid (PubChem CID 10286051) has the molecular formula C8H16N4O6 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-aminobutanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-aminobutanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid
PubChem CID10286051
Molecular FormulaC8H16N4O6
Molecular Weight264.24 g/mol
Exact Mass264.11
IUPAC Name2-aminobutanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid
SMILESNC(CC(=O)O)C(=O)O.[H]/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C4H9N3O2.C4H7NO4/c1-7(4(5)6)2-3(8)9;5-2(4(8)9)1-3(6)7/h2H2,1H3,(H3,5,6)(H,8,9);2H,1,5H2,(H,6,7)(H,8,9)
InChIKeyOYJBHPWGIDGWFV-UHFFFAOYSA-N
XLogP-2.23
TPSA191.03 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.24
LogP ≤ 5-2.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-aminopentanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid
CID 87803382
2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioic acid
CID 10355479
2-[carbamimidoyl(methyl)amino]acetic acid;chromium
CID 174525318
2-[carbamimidoyl(methyl)amino]acetic acid;carbonic acid
CID 87214776
potassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride
CID 173111942
2-[carbamimidoyl(methyl)amino]acetic acid;propanedioic acid
CID 139530070
2-[carbamimidoyl(methyl)amino]acetic acid;formic acid
CID 10285829
trisodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);phosphate
CID 175308633
2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioate
CID 171391165
disodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate
CID 175418807
sodium;2-[carbamimidoyl(methyl)amino]acetic acid;2-oxopropanoate
CID 23721155
bis(2-[carbamimidoyl(methyl)amino]acetic acid);1,2-dihydroxypropane-1,2,3-tricarboxylic acid
CID 140506264

Frequently Asked Questions

What is the IUPAC name of 2-aminobutanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid?
The IUPAC name of 2-aminobutanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid (CID 10286051) is 2-aminobutanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-aminobutanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-aminobutanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid is NC(CC(=O)O)C(=O)O.[H]/N=C(\N)N(C)CC(=O)O.
What is the InChIKey of 2-aminobutanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid?
The InChIKey is OYJBHPWGIDGWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2.C4H7NO4/c1-7(4(5)6)2-3(8)9;5-2(4(8)9)1-3(6)7/h2H2,1H3,(H3,5,6)(H,8,9);2H,1,5H2,(H,6,7)(H,8,9).
What are the key properties of 2-aminobutanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid?
2-aminobutanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid has a molecular weight of 264.24 g/mol, XLogP of -2.23, 5 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid is sourced from PubChem (CID 10286051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).