2-amino-N-prop-2-ynylacetamide;hydrochloride

C5H9ClN2O — CID 47002635

IUPAC2-amino-N-prop-2-ynylacetamide;hydrochloride
SMILESC#CCNC(=O)CN.Cl
InChIInChI=1S/C5H8N2O.ClH/c1-2-3-7-5(8)4-6;/h1H,3-4,6H2,(H,7,8);1H
InChIKeyUKMLWGLTMFEAHR-UHFFFAOYSA-N
MW148.59 g/mol
LogP-0.88
Rot. Bonds2

About 2-amino-N-prop-2-ynylacetamide;hydrochloride

2-amino-N-prop-2-ynylacetamide;hydrochloride (PubChem CID 47002635) has the molecular formula C5H9ClN2O and a molecular weight of 148.59 g/mol. Its IUPAC name is 2-amino-N-prop-2-ynylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-prop-2-ynylacetamide;hydrochloride
PubChem CID47002635
Molecular FormulaC5H9ClN2O
Molecular Weight148.59 g/mol
Exact Mass148.04
IUPAC Name2-amino-N-prop-2-ynylacetamide;hydrochloride
SMILESC#CCNC(=O)CN.Cl
InChIInChI=1S/C5H8N2O.ClH/c1-2-3-7-5(8)4-6;/h1H,3-4,6H2,(H,7,8);1H
InChIKeyUKMLWGLTMFEAHR-UHFFFAOYSA-N
XLogP-0.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-prop-2-ynylbutanamide
CID 24695167
4-amino-3-methyl-N-prop-2-ynylbutanamide
CID 81070639
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
4-oxo-N-prop-2-ynylpentanamide
CID 60646238
N-propyl-N'-prop-2-ynylbutanediamide
CID 163636488
6-oxo-6-(prop-2-ynylamino)hexanoic acid
CID 43529221
methane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide
CID 158389434
2-amino-N-ethylacetamide;hydroxy-methyl-oxophosphanium
CID 88711481
2-(2-amino-2-methylpropoxy)-N-prop-2-ynylacetamide
CID 64537393
N-prop-2-ynyl-11-sulfanylundecanamide
CID 102527200
N,N'-bis(prop-2-ynyl)octadec-9-enediamide
CID 90949780
N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide
CID 79287786

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-prop-2-ynylacetamide;hydrochloride?
The IUPAC name of 2-amino-N-prop-2-ynylacetamide;hydrochloride (CID 47002635) is 2-amino-N-prop-2-ynylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-prop-2-ynylacetamide;hydrochloride?
The canonical SMILES for 2-amino-N-prop-2-ynylacetamide;hydrochloride is C#CCNC(=O)CN.Cl.
What is the InChIKey of 2-amino-N-prop-2-ynylacetamide;hydrochloride?
The InChIKey is UKMLWGLTMFEAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.ClH/c1-2-3-7-5(8)4-6;/h1H,3-4,6H2,(H,7,8);1H.
What are the key properties of 2-amino-N-prop-2-ynylacetamide;hydrochloride?
2-amino-N-prop-2-ynylacetamide;hydrochloride has a molecular weight of 148.59 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-prop-2-ynylacetamide;hydrochloride is sourced from PubChem (CID 47002635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).