2-amino-2-cyclopropylacetyl chloride

C5H8ClNO — CID 55289938

IUPAC2-amino-2-cyclopropylacetyl chloride
SMILESNC(C(=O)Cl)C1CC1
InChIInChI=1S/C5H8ClNO/c6-5(8)4(7)3-1-2-3/h3-4H,1-2,7H2
InChIKeyRYRZBVKNPPWLQM-UHFFFAOYSA-N
MW133.58 g/mol
LogP0.49
Rot. Bonds2

About 2-amino-2-cyclopropylacetyl chloride

2-amino-2-cyclopropylacetyl chloride (PubChem CID 55289938) has the molecular formula C5H8ClNO and a molecular weight of 133.58 g/mol. Its IUPAC name is 2-amino-2-cyclopropylacetyl chloride.

Molecular Properties

Compound Name2-amino-2-cyclopropylacetyl chloride
PubChem CID55289938
Molecular FormulaC5H8ClNO
Molecular Weight133.58 g/mol
Exact Mass133.03
IUPAC Name2-amino-2-cyclopropylacetyl chloride
SMILESNC(C(=O)Cl)C1CC1
InChIInChI=1S/C5H8ClNO/c6-5(8)4(7)3-1-2-3/h3-4H,1-2,7H2
InChIKeyRYRZBVKNPPWLQM-UHFFFAOYSA-N
XLogP0.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.58
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropylacetyl chloride?
The IUPAC name of 2-amino-2-cyclopropylacetyl chloride (CID 55289938) is 2-amino-2-cyclopropylacetyl chloride.
What is the SMILES notation for 2-amino-2-cyclopropylacetyl chloride?
The canonical SMILES for 2-amino-2-cyclopropylacetyl chloride is NC(C(=O)Cl)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropylacetyl chloride?
The InChIKey is RYRZBVKNPPWLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClNO/c6-5(8)4(7)3-1-2-3/h3-4H,1-2,7H2.
What are the key properties of 2-amino-2-cyclopropylacetyl chloride?
2-amino-2-cyclopropylacetyl chloride has a molecular weight of 133.58 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropylacetyl chloride is sourced from PubChem (CID 55289938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).