N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2-(prop-2-ynylamino)acetamide

C8H11N3O3 — CID 79524181

IUPACN-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N[C@@H]1CONC1=O
InChIInChI=1S/C8H11N3O3/c1-2-3-9-4-7(12)10-6-5-14-11-8(6)13/h1,6,9H,3-5H2,(H,10,12)(H,11,13)/t6-/m1/s1
InChIKeyQELKAPFKCQDCAU-ZCFIWIBFSA-N
MW197.19 g/mol
LogP-2.24
Rot. Bonds4

About N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2-(prop-2-ynylamino)acetamide

N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2-(prop-2-ynylamino)acetamide (PubChem CID 79524181) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2-(prop-2-ynylamino)acetamide
PubChem CID79524181
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N[C@@H]1CONC1=O
InChIInChI=1S/C8H11N3O3/c1-2-3-9-4-7(12)10-6-5-14-11-8(6)13/h1,6,9H,3-5H2,(H,10,12)(H,11,13)/t6-/m1/s1
InChIKeyQELKAPFKCQDCAU-ZCFIWIBFSA-N
XLogP-2.24
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-2.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2-(prop-2-ynylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2-(prop-2-ynylamino)acetamide (CID 79524181) is N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N[C@@H]1CONC1=O.
What is the InChIKey of N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is QELKAPFKCQDCAU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-3-9-4-7(12)10-6-5-14-11-8(6)13/h1,6,9H,3-5H2,(H,10,12)(H,11,13)/t6-/m1/s1.
What are the key properties of N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2-(prop-2-ynylamino)acetamide?
N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 197.19 g/mol, XLogP of -2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79524181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).