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

C8H13N3O7-2 — CID 171391165

IUPAC2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioate
SMILESO=C([O-])CC(O)C(=O)[O-].[H]/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C4H9N3O2.C4H6O5/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);2,5H,1H2,(H,6,7)(H,8,9)/p-2
InChIKeyIJHJWHALYRGNKV-UHFFFAOYSA-L
MW263.21 g/mol
LogP-4.87
Rot. Bonds5

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

2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioate (PubChem CID 171391165) has the molecular formula C8H13N3O7-2 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioate.

Molecular Properties

Compound Name2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioate
PubChem CID171391165
Molecular FormulaC8H13N3O7-2
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioate
SMILESO=C([O-])CC(O)C(=O)[O-].[H]/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C4H9N3O2.C4H6O5/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);2,5H,1H2,(H,6,7)(H,8,9)/p-2
InChIKeyIJHJWHALYRGNKV-UHFFFAOYSA-L
XLogP-4.87
TPSA190.90 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 5-4.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioic acid
CID 10355479
2-[carbamimidoyl(methyl)amino]acetic acid;propanedioic acid
CID 139530070
2-[carbamimidoyl(methyl)amino]acetic acid;chromium
CID 174525318
2-[carbamimidoyl(methyl)amino]acetic acid;carbonic acid
CID 87214776
2-[carbamimidoyl(methyl)amino]acetic acid;3-hydroxy-4-(trimethylazaniumyl)butanoate;phosphoric acid
CID 174395686
potassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride
CID 173111942
sodium;2-[carbamimidoyl(methyl)amino]acetic acid;2-oxopropanoate
CID 23721155
trisodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);phosphate
CID 175308633
2-[carbamimidoyl(methyl)amino]acetic acid;formic acid
CID 10285829
2-aminobutanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid
CID 10286051
disodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate
CID 175418807
(2S)-2-aminopentanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid
CID 87803382

Frequently Asked Questions

What is the IUPAC name of 2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioate?
The IUPAC name of 2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioate (CID 171391165) is 2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioate.
What is the SMILES notation for 2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioate?
The canonical SMILES for 2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioate is O=C([O-])CC(O)C(=O)[O-].[H]/N=C(\N)N(C)CC(=O)O.
What is the InChIKey of 2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioate?
The InChIKey is IJHJWHALYRGNKV-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H9N3O2.C4H6O5/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);2,5H,1H2,(H,6,7)(H,8,9)/p-2.
What are the key properties of 2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioate?
2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioate has a molecular weight of 263.21 g/mol, XLogP of -4.87, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioate is sourced from PubChem (CID 171391165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).