2-[(N'-acetylcarbamimidoyl)-methylamino]acetic acid

C6H11N3O3 — CID 53353192

IUPAC2-[(N'-acetylcarbamimidoyl)-methylamino]acetic acid
SMILESCC(=O)/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C6H11N3O3/c1-4(10)8-6(7)9(2)3-5(11)12/h3H2,1-2H3,(H,11,12)(H2,7,8,10)
InChIKeyMRZSDFPXXGSHFQ-UHFFFAOYSA-N
MW173.17 g/mol
LogP-1.14
Rot. Bonds2

About 2-[(N'-acetylcarbamimidoyl)-methylamino]acetic acid

2-[(N'-acetylcarbamimidoyl)-methylamino]acetic acid (PubChem CID 53353192) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-[(N'-acetylcarbamimidoyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(N'-acetylcarbamimidoyl)-methylamino]acetic acid
PubChem CID53353192
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name2-[(N'-acetylcarbamimidoyl)-methylamino]acetic acid
SMILESCC(=O)/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C6H11N3O3/c1-4(10)8-6(7)9(2)3-5(11)12/h3H2,1-2H3,(H,11,12)(H2,7,8,10)
InChIKeyMRZSDFPXXGSHFQ-UHFFFAOYSA-N
XLogP-1.14
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-[(N'-acetylcarbamimidoyl)-methylamino]acetic acid?
The IUPAC name of 2-[(N'-acetylcarbamimidoyl)-methylamino]acetic acid (CID 53353192) is 2-[(N'-acetylcarbamimidoyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(N'-acetylcarbamimidoyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(N'-acetylcarbamimidoyl)-methylamino]acetic acid is CC(=O)/N=C(\N)N(C)CC(=O)O.
What is the InChIKey of 2-[(N'-acetylcarbamimidoyl)-methylamino]acetic acid?
The InChIKey is MRZSDFPXXGSHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-4(10)8-6(7)9(2)3-5(11)12/h3H2,1-2H3,(H,11,12)(H2,7,8,10).
What are the key properties of 2-[(N'-acetylcarbamimidoyl)-methylamino]acetic acid?
2-[(N'-acetylcarbamimidoyl)-methylamino]acetic acid has a molecular weight of 173.17 g/mol, XLogP of -1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N'-acetylcarbamimidoyl)-methylamino]acetic acid is sourced from PubChem (CID 53353192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).