N-[(3S,4R)-4-aminooxolan-3-yl]prop-2-enamide

C7H12N2O2 — CID 90457526

IUPACN-[(3S,4R)-4-aminooxolan-3-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H]1COC[C@@H]1N
InChIInChI=1S/C7H12N2O2/c1-2-7(10)9-6-4-11-3-5(6)8/h2,5-6H,1,3-4,8H2,(H,9,10)/t5-,6+/m0/s1
InChIKeyZDBRNZWVVBFTQX-NTSWFWBYSA-N
MW156.18 g/mol
LogP-0.99
Rot. Bonds2

About N-[(3S,4R)-4-aminooxolan-3-yl]prop-2-enamide

N-[(3S,4R)-4-aminooxolan-3-yl]prop-2-enamide (PubChem CID 90457526) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is N-[(3S,4R)-4-aminooxolan-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-aminooxolan-3-yl]prop-2-enamide
PubChem CID90457526
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC NameN-[(3S,4R)-4-aminooxolan-3-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H]1COC[C@@H]1N
InChIInChI=1S/C7H12N2O2/c1-2-7(10)9-6-4-11-3-5(6)8/h2,5-6H,1,3-4,8H2,(H,9,10)/t5-,6+/m0/s1
InChIKeyZDBRNZWVVBFTQX-NTSWFWBYSA-N
XLogP-0.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(oxolan-3-yl)prop-2-enamide
CID 80717090
N-[(3R,4S)-4-aminooxolan-3-yl]prop-2-enamide
CID 90426322
2-methyl-N-[4-(prop-2-enoylamino)oxolan-3-yl]propanamide
CID 117611102
N-(4-iodooxolan-3-yl)prop-2-enamide
CID 117611217
N-[(3S,4R)-4-methyloxolan-3-yl]prop-2-enamide
CID 118043453
N-(4-acetamidooxolan-3-yl)prop-2-enamide
CID 118606284
N-[(3R,4S)-4-(propan-2-ylamino)oxolan-3-yl]prop-2-enamide
CID 118885976
N-[4-(propan-2-ylamino)oxolan-3-yl]prop-2-enamide
CID 118885993
N-[(3R,4S)-4-(methylamino)oxolan-3-yl]prop-2-enamide
CID 118888267
N-[4-(methylamino)oxolan-3-yl]prop-2-enamide
CID 118888273
N-(4-aminooxolan-3-yl)prop-2-enamide
CID 122415350
N-(4-Methyloxolan-3-yl)prop-2-enamide
CID 122415478

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-aminooxolan-3-yl]prop-2-enamide?
The IUPAC name of N-[(3S,4R)-4-aminooxolan-3-yl]prop-2-enamide (CID 90457526) is N-[(3S,4R)-4-aminooxolan-3-yl]prop-2-enamide.
What is the SMILES notation for N-[(3S,4R)-4-aminooxolan-3-yl]prop-2-enamide?
The canonical SMILES for N-[(3S,4R)-4-aminooxolan-3-yl]prop-2-enamide is C=CC(=O)N[C@@H]1COC[C@@H]1N.
What is the InChIKey of N-[(3S,4R)-4-aminooxolan-3-yl]prop-2-enamide?
The InChIKey is ZDBRNZWVVBFTQX-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-7(10)9-6-4-11-3-5(6)8/h2,5-6H,1,3-4,8H2,(H,9,10)/t5-,6+/m0/s1.
What are the key properties of N-[(3S,4R)-4-aminooxolan-3-yl]prop-2-enamide?
N-[(3S,4R)-4-aminooxolan-3-yl]prop-2-enamide has a molecular weight of 156.18 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-aminooxolan-3-yl]prop-2-enamide is sourced from PubChem (CID 90457526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).