2-[carbamimidoyl(methyl)amino]acetic acid

C4H9N3O2 — CID 586

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IUPAC2-[carbamimidoyl(methyl)amino]acetic acid
SMILES[H]/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)
InChIKeyCVSVTCORWBXHQV-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.10
Rot. Bonds2

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

2-[carbamimidoyl(methyl)amino]acetic acid (PubChem CID 586) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is 2-[carbamimidoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carbamimidoyl(methyl)amino]acetic acid
PubChem CID586
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC Name2-[carbamimidoyl(methyl)amino]acetic acid
SMILES[H]/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)
InChIKeyCVSVTCORWBXHQV-UHFFFAOYSA-N
XLogP-1.10
TPSA90.41 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

Creatine Monohydrate
CID 80116
N-(Aminoiminomethyl)-N-methylglycine ethyl ester
CID 10197817
2-(Carbamimidoyl(methyl)amino)acetic acid;hydrochloride
CID 134732
(Diaminomethyl-Methyl-Amino)-Acetic Acid
CID 4635864
Creatine Nitrate
CID 25231507
Glycine, N-(aminoiminomethyl)-N-(methyl-d3)-, hydrate (1:1)
CID 16213871
2-((Bis(methylamino)methylidene)amino)acetic acid
CID 21721259
N-Ethylguanidinoacetate
CID 188988
Creatine D3
CID 12205340
N-Ethanimidoyl-N-methylglycine
CID 316534
N-(~13~C)Carbamimidoyl-N-methylglycine--water (1/1)
CID 16217246
Creatine formate
CID 10285829

Frequently Asked Questions

What is the IUPAC name of 2-[carbamimidoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[carbamimidoyl(methyl)amino]acetic acid (CID 586) is 2-[carbamimidoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[carbamimidoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[carbamimidoyl(methyl)amino]acetic acid is [H]/N=C(\N)N(C)CC(=O)O.
What is the InChIKey of 2-[carbamimidoyl(methyl)amino]acetic acid?
The InChIKey is CVSVTCORWBXHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9).
What are the key properties of 2-[carbamimidoyl(methyl)amino]acetic acid?
2-[carbamimidoyl(methyl)amino]acetic acid has a molecular weight of 131.13 g/mol, XLogP of -1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamimidoyl(methyl)amino]acetic acid is sourced from PubChem (CID 586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).