2-(3-amino-3-iminopropoxy)acetic acid

C5H10N2O3 — CID 89185715

IUPAC2-(3-amino-3-iminopropoxy)acetic acid
SMILES[H]/N=C(\N)CCOCC(=O)O
InChIInChI=1S/C5H10N2O3/c6-4(7)1-2-10-3-5(8)9/h1-3H2,(H3,6,7)(H,8,9)
InChIKeyOVHHBXYPQZUEBC-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.59
Rot. Bonds5

About 2-(3-amino-3-iminopropoxy)acetic acid

2-(3-amino-3-iminopropoxy)acetic acid (PubChem CID 89185715) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-(3-amino-3-iminopropoxy)acetic acid.

Molecular Properties

Compound Name2-(3-amino-3-iminopropoxy)acetic acid
PubChem CID89185715
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name2-(3-amino-3-iminopropoxy)acetic acid
SMILES[H]/N=C(\N)CCOCC(=O)O
InChIInChI=1S/C5H10N2O3/c6-4(7)1-2-10-3-5(8)9/h1-3H2,(H3,6,7)(H,8,9)
InChIKeyOVHHBXYPQZUEBC-UHFFFAOYSA-N
XLogP-0.59
TPSA96.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-amino-3-iminopropoxy)acetic acid?
The IUPAC name of 2-(3-amino-3-iminopropoxy)acetic acid (CID 89185715) is 2-(3-amino-3-iminopropoxy)acetic acid.
What is the SMILES notation for 2-(3-amino-3-iminopropoxy)acetic acid?
The canonical SMILES for 2-(3-amino-3-iminopropoxy)acetic acid is [H]/N=C(\N)CCOCC(=O)O.
What is the InChIKey of 2-(3-amino-3-iminopropoxy)acetic acid?
The InChIKey is OVHHBXYPQZUEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c6-4(7)1-2-10-3-5(8)9/h1-3H2,(H3,6,7)(H,8,9).
What are the key properties of 2-(3-amino-3-iminopropoxy)acetic acid?
2-(3-amino-3-iminopropoxy)acetic acid has a molecular weight of 146.15 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-3-iminopropoxy)acetic acid is sourced from PubChem (CID 89185715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).