3-amino-3-imino-2-methylpropanoic acid

C4H8N2O2 — CID 57324342

IUPAC3-amino-3-imino-2-methylpropanoic acid
SMILES[H]/N=C(\N)C(C)C(=O)O
InChIInChI=1S/C4H8N2O2/c1-2(3(5)6)4(7)8/h2H,1H3,(H3,5,6)(H,7,8)
InChIKeyFXDDPSBPWQRMBO-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.36
Rot. Bonds2

About 3-amino-3-imino-2-methylpropanoic acid

3-amino-3-imino-2-methylpropanoic acid (PubChem CID 57324342) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 3-amino-3-imino-2-methylpropanoic acid.

Molecular Properties

Compound Name3-amino-3-imino-2-methylpropanoic acid
PubChem CID57324342
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name3-amino-3-imino-2-methylpropanoic acid
SMILES[H]/N=C(\N)C(C)C(=O)O
InChIInChI=1S/C4H8N2O2/c1-2(3(5)6)4(7)8/h2H,1H3,(H3,5,6)(H,7,8)
InChIKeyFXDDPSBPWQRMBO-UHFFFAOYSA-N
XLogP-0.36
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.36
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-imino-2-methylpropanoic acid?
The IUPAC name of 3-amino-3-imino-2-methylpropanoic acid (CID 57324342) is 3-amino-3-imino-2-methylpropanoic acid.
What is the SMILES notation for 3-amino-3-imino-2-methylpropanoic acid?
The canonical SMILES for 3-amino-3-imino-2-methylpropanoic acid is [H]/N=C(\N)C(C)C(=O)O.
What is the InChIKey of 3-amino-3-imino-2-methylpropanoic acid?
The InChIKey is FXDDPSBPWQRMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-2(3(5)6)4(7)8/h2H,1H3,(H3,5,6)(H,7,8).
What are the key properties of 3-amino-3-imino-2-methylpropanoic acid?
3-amino-3-imino-2-methylpropanoic acid has a molecular weight of 116.12 g/mol, XLogP of -0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-imino-2-methylpropanoic acid is sourced from PubChem (CID 57324342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).