N-[(3R,4S)-4-(propan-2-ylamino)oxolan-3-yl]prop-2-enamide

C10H18N2O2 — CID 118885976

IUPACN-[(3R,4S)-4-(propan-2-ylamino)oxolan-3-yl]prop-2-enamide
SMILESC=CC(=O)N[C@H]1COC[C@H]1NC(C)C
InChIInChI=1S/C10H18N2O2/c1-4-10(13)12-9-6-14-5-8(9)11-7(2)3/h4,7-9,11H,1,5-6H2,2-3H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyFUSUGFLQOVJZKY-BDAKNGLRSA-N
MW198.27 g/mol
LogP0.05
Rot. Bonds4

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

N-[(3R,4S)-4-(propan-2-ylamino)oxolan-3-yl]prop-2-enamide (PubChem CID 118885976) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[(3R,4S)-4-(propan-2-ylamino)oxolan-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(propan-2-ylamino)oxolan-3-yl]prop-2-enamide
PubChem CID118885976
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-[(3R,4S)-4-(propan-2-ylamino)oxolan-3-yl]prop-2-enamide
SMILESC=CC(=O)N[C@H]1COC[C@H]1NC(C)C
InChIInChI=1S/C10H18N2O2/c1-4-10(13)12-9-6-14-5-8(9)11-7(2)3/h4,7-9,11H,1,5-6H2,2-3H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyFUSUGFLQOVJZKY-BDAKNGLRSA-N
XLogP0.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.05
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-(1-methoxybutan-2-yl)prop-2-enamide
CID 14419449
N-(2-morpholin-4-ylpropyl)prop-2-enamide
CID 53787036
N-(2-morpholin-4-ylbutyl)prop-2-enamide
CID 54389628
N-[2-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide
CID 54484386
N-[1-[2-(2-aminopropoxy)ethoxy]propan-2-yl]prop-2-enamide
CID 57827928
N-[2-(oxolan-3-ylamino)ethyl]acetamide
CID 63331422
N-(oxolan-3-yl)prop-2-enamide
CID 80717090
N-[(3R,4S)-4-aminooxolan-3-yl]prop-2-enamide
CID 90426322
N-((3S,4R)-4-aminotetrahydrofuran-3-yl)acrylamide
CID 90457526
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

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(propan-2-ylamino)oxolan-3-yl]prop-2-enamide?
The IUPAC name of N-[(3R,4S)-4-(propan-2-ylamino)oxolan-3-yl]prop-2-enamide (CID 118885976) is N-[(3R,4S)-4-(propan-2-ylamino)oxolan-3-yl]prop-2-enamide.
What is the SMILES notation for N-[(3R,4S)-4-(propan-2-ylamino)oxolan-3-yl]prop-2-enamide?
The canonical SMILES for N-[(3R,4S)-4-(propan-2-ylamino)oxolan-3-yl]prop-2-enamide is C=CC(=O)N[C@H]1COC[C@H]1NC(C)C.
What is the InChIKey of N-[(3R,4S)-4-(propan-2-ylamino)oxolan-3-yl]prop-2-enamide?
The InChIKey is FUSUGFLQOVJZKY-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-10(13)12-9-6-14-5-8(9)11-7(2)3/h4,7-9,11H,1,5-6H2,2-3H3,(H,12,13)/t8-,9+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(propan-2-ylamino)oxolan-3-yl]prop-2-enamide?
N-[(3R,4S)-4-(propan-2-ylamino)oxolan-3-yl]prop-2-enamide has a molecular weight of 198.27 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(propan-2-ylamino)oxolan-3-yl]prop-2-enamide is sourced from PubChem (CID 118885976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).