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

C5H11N3O4 — CID 10285829

IUPAC2-[carbamimidoyl(methyl)amino]acetic acid;formic acid
SMILESO=CO.[H]/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C4H9N3O2.CH2O2/c1-7(4(5)6)2-3(8)9;2-1-3/h2H2,1H3,(H3,5,6)(H,8,9);1H,(H,2,3)
InChIKeyHZNSXCIGAVQBNB-UHFFFAOYSA-N
MW177.16 g/mol
LogP-1.40
Rot. Bonds2

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

2-[carbamimidoyl(methyl)amino]acetic acid;formic acid (PubChem CID 10285829) has the molecular formula C5H11N3O4 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-[carbamimidoyl(methyl)amino]acetic acid;formic acid.

Molecular Properties

Compound Name2-[carbamimidoyl(methyl)amino]acetic acid;formic acid
PubChem CID10285829
Molecular FormulaC5H11N3O4
Molecular Weight177.16 g/mol
Exact Mass177.07
IUPAC Name2-[carbamimidoyl(methyl)amino]acetic acid;formic acid
SMILESO=CO.[H]/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C4H9N3O2.CH2O2/c1-7(4(5)6)2-3(8)9;2-1-3/h2H2,1H3,(H3,5,6)(H,8,9);1H,(H,2,3)
InChIKeyHZNSXCIGAVQBNB-UHFFFAOYSA-N
XLogP-1.40
TPSA127.71 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
trisodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);phosphate
CID 175308633
disodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate
CID 175418807
sodium;2-[carbamimidoyl(methyl)amino]acetic acid;2-oxopropanoate
CID 23721155
2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioic acid
CID 10355479
2-aminobutanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid
CID 10286051
(2S)-2-aminopentanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid
CID 87803382
2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioate
CID 171391165
ethane;1-methyl-1-(2-oxopropyl)guanidine
CID 143126704

Frequently Asked Questions

What is the IUPAC name of 2-[carbamimidoyl(methyl)amino]acetic acid;formic acid?
The IUPAC name of 2-[carbamimidoyl(methyl)amino]acetic acid;formic acid (CID 10285829) is 2-[carbamimidoyl(methyl)amino]acetic acid;formic acid.
What is the SMILES notation for 2-[carbamimidoyl(methyl)amino]acetic acid;formic acid?
The canonical SMILES for 2-[carbamimidoyl(methyl)amino]acetic acid;formic acid is O=CO.[H]/N=C(\N)N(C)CC(=O)O.
What is the InChIKey of 2-[carbamimidoyl(methyl)amino]acetic acid;formic acid?
The InChIKey is HZNSXCIGAVQBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2.CH2O2/c1-7(4(5)6)2-3(8)9;2-1-3/h2H2,1H3,(H3,5,6)(H,8,9);1H,(H,2,3).
What are the key properties of 2-[carbamimidoyl(methyl)amino]acetic acid;formic acid?
2-[carbamimidoyl(methyl)amino]acetic acid;formic acid has a molecular weight of 177.16 g/mol, XLogP of -1.40, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamimidoyl(methyl)amino]acetic acid;formic acid is sourced from PubChem (CID 10285829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).