2-[carbamimidoyl(2-oxopropyl)amino]acetic acid

C6H11N3O3 — CID 118322379

IUPAC2-[carbamimidoyl(2-oxopropyl)amino]acetic acid
SMILES[H]/N=C(\N)N(CC(C)=O)CC(=O)O
InChIInChI=1S/C6H11N3O3/c1-4(10)2-9(6(7)8)3-5(11)12/h2-3H2,1H3,(H3,7,8)(H,11,12)
InChIKeyHSUVKRXGGNZJHF-UHFFFAOYSA-N
MW173.17 g/mol
LogP-1.14
Rot. Bonds4

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

2-[carbamimidoyl(2-oxopropyl)amino]acetic acid (PubChem CID 118322379) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-[carbamimidoyl(2-oxopropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carbamimidoyl(2-oxopropyl)amino]acetic acid
PubChem CID118322379
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name2-[carbamimidoyl(2-oxopropyl)amino]acetic acid
SMILES[H]/N=C(\N)N(CC(C)=O)CC(=O)O
InChIInChI=1S/C6H11N3O3/c1-4(10)2-9(6(7)8)3-5(11)12/h2-3H2,1H3,(H3,7,8)(H,11,12)
InChIKeyHSUVKRXGGNZJHF-UHFFFAOYSA-N
XLogP-1.14
TPSA107.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[carbamimidoyl(2-oxopropyl)amino]acetic acid?
The IUPAC name of 2-[carbamimidoyl(2-oxopropyl)amino]acetic acid (CID 118322379) is 2-[carbamimidoyl(2-oxopropyl)amino]acetic acid.
What is the SMILES notation for 2-[carbamimidoyl(2-oxopropyl)amino]acetic acid?
The canonical SMILES for 2-[carbamimidoyl(2-oxopropyl)amino]acetic acid is [H]/N=C(\N)N(CC(C)=O)CC(=O)O.
What is the InChIKey of 2-[carbamimidoyl(2-oxopropyl)amino]acetic acid?
The InChIKey is HSUVKRXGGNZJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-4(10)2-9(6(7)8)3-5(11)12/h2-3H2,1H3,(H3,7,8)(H,11,12).
What are the key properties of 2-[carbamimidoyl(2-oxopropyl)amino]acetic acid?
2-[carbamimidoyl(2-oxopropyl)amino]acetic acid has a molecular weight of 173.17 g/mol, XLogP of -1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamimidoyl(2-oxopropyl)amino]acetic acid is sourced from PubChem (CID 118322379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).