2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C7H12N4O2 — CID 98128026

IUPAC2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILES[N-]=[N+]=NCC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C7H12N4O2/c8-11-10-5-7(12)9-4-6-2-1-3-13-6/h6H,1-5H2,(H,9,12)/t6-/m1/s1
InChIKeyGCHALVOKMAAWAK-ZCFIWIBFSA-N
MW184.20 g/mol
LogP0.59
Rot. Bonds4

About 2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 98128026) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID98128026
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILES[N-]=[N+]=NCC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C7H12N4O2/c8-11-10-5-7(12)9-4-6-2-1-3-13-6/h6H,1-5H2,(H,9,12)/t6-/m1/s1
InChIKeyGCHALVOKMAAWAK-ZCFIWIBFSA-N
XLogP0.59
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 143235594
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
2-cyclopentyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94814349
2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 51109505
[(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium
CID 7437115
2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1072431
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
N-(4-azidobutyl)-3-(oxolan-2-yl)propanamide
CID 106386302
N-(oxolan-2-ylmethyl)prop-2-enamide
CID 15332973

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 98128026) is 2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide is [N-]=[N+]=NCC(=O)NC[C@H]1CCCO1.
What is the InChIKey of 2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is GCHALVOKMAAWAK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12N4O2/c8-11-10-5-7(12)9-4-6-2-1-3-13-6/h6H,1-5H2,(H,9,12)/t6-/m1/s1.
What are the key properties of 2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 184.20 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 98128026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).