2-amino-N-(1-iminopropan-2-yl)acetamide

C5H11N3O — CID 166969611

IUPAC2-amino-N-(1-iminopropan-2-yl)acetamide
SMILES[H]/N=C/C(C)NC(=O)CN
InChIInChI=1S/C5H11N3O/c1-4(2-6)8-5(9)3-7/h2,4,6H,3,7H2,1H3,(H,8,9)/b6-2+
InChIKeyRFGWCSKVQPRQOL-QHHAFSJGSA-N
MW129.16 g/mol
LogP-0.90
Rot. Bonds3

About 2-amino-N-(1-iminopropan-2-yl)acetamide

2-amino-N-(1-iminopropan-2-yl)acetamide (PubChem CID 166969611) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-amino-N-(1-iminopropan-2-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(1-iminopropan-2-yl)acetamide
PubChem CID166969611
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name2-amino-N-(1-iminopropan-2-yl)acetamide
SMILES[H]/N=C/C(C)NC(=O)CN
InChIInChI=1S/C5H11N3O/c1-4(2-6)8-5(9)3-7/h2,4,6H,3,7H2,1H3,(H,8,9)/b6-2+
InChIKeyRFGWCSKVQPRQOL-QHHAFSJGSA-N
XLogP-0.90
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-iminopropan-2-yl)acetamide?
The IUPAC name of 2-amino-N-(1-iminopropan-2-yl)acetamide (CID 166969611) is 2-amino-N-(1-iminopropan-2-yl)acetamide.
What is the SMILES notation for 2-amino-N-(1-iminopropan-2-yl)acetamide?
The canonical SMILES for 2-amino-N-(1-iminopropan-2-yl)acetamide is [H]/N=C/C(C)NC(=O)CN.
What is the InChIKey of 2-amino-N-(1-iminopropan-2-yl)acetamide?
The InChIKey is RFGWCSKVQPRQOL-QHHAFSJGSA-N. The full InChI is InChI=1S/C5H11N3O/c1-4(2-6)8-5(9)3-7/h2,4,6H,3,7H2,1H3,(H,8,9)/b6-2+.
What are the key properties of 2-amino-N-(1-iminopropan-2-yl)acetamide?
2-amino-N-(1-iminopropan-2-yl)acetamide has a molecular weight of 129.16 g/mol, XLogP of -0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-iminopropan-2-yl)acetamide is sourced from PubChem (CID 166969611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).