N-[(2S,3R)-3-methoxy-1-(methylamino)pent-4-en-2-yl]acetamide

C9H18N2O2 — CID 121392423

IUPACN-[(2S,3R)-3-methoxy-1-(methylamino)pent-4-en-2-yl]acetamide
SMILESC=C[C@@H](OC)[C@H](CNC)NC(C)=O
InChIInChI=1S/C9H18N2O2/c1-5-9(13-4)8(6-10-3)11-7(2)12/h5,8-10H,1,6H2,2-4H3,(H,11,12)/t8-,9+/m0/s1
InChIKeyKKEWTXNUFROMLH-DTWKUNHWSA-N
MW186.25 g/mol
LogP-0.09
Rot. Bonds6

About N-[(2S,3R)-3-methoxy-1-(methylamino)pent-4-en-2-yl]acetamide

N-[(2S,3R)-3-methoxy-1-(methylamino)pent-4-en-2-yl]acetamide (PubChem CID 121392423) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-[(2S,3R)-3-methoxy-1-(methylamino)pent-4-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-methoxy-1-(methylamino)pent-4-en-2-yl]acetamide
PubChem CID121392423
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-[(2S,3R)-3-methoxy-1-(methylamino)pent-4-en-2-yl]acetamide
SMILESC=C[C@@H](OC)[C@H](CNC)NC(C)=O
InChIInChI=1S/C9H18N2O2/c1-5-9(13-4)8(6-10-3)11-7(2)12/h5,8-10H,1,6H2,2-4H3,(H,11,12)/t8-,9+/m0/s1
InChIKeyKKEWTXNUFROMLH-DTWKUNHWSA-N
XLogP-0.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2R,6S)-6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 68789403
N-(6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide
CID 69401741
1-(1,4,7,10-Tetraazacyclotridec-5-yl)allyloxymethane
CID 69406753
(2E)-N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]-3,7-dimethylocta-2,6-dienamide
CID 121391951
N-[(2S,3R)-1-(dimethylamino)-3-methoxypent-4-en-2-yl]acetamide
CID 121391957
N-[(2S,3R)-2-acetamido-3-methoxypent-4-enyl]acetamide
CID 121391959
N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]acetamide
CID 121392103
N-(2-amino-4-pentan-3-yloxyhex-5-en-3-yl)acetamide
CID 123666021
N-[(5S)-2-butyl-5-ethenyl-1,2-oxazolidin-4-yl]acetamide
CID 134567703
N-[(E,2S,3R)-2-acetamido-3-methoxyhex-4-enyl]acetamide
CID 145097689
N-[(3R,4S)-4-methoxyhex-5-en-3-yl]but-3-enamide
CID 156479500
N-[(4S)-4-methoxypyrrolidin-3-yl]pent-4-enamide
CID 62680069

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-methoxy-1-(methylamino)pent-4-en-2-yl]acetamide?
The IUPAC name of N-[(2S,3R)-3-methoxy-1-(methylamino)pent-4-en-2-yl]acetamide (CID 121392423) is N-[(2S,3R)-3-methoxy-1-(methylamino)pent-4-en-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R)-3-methoxy-1-(methylamino)pent-4-en-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R)-3-methoxy-1-(methylamino)pent-4-en-2-yl]acetamide is C=C[C@@H](OC)[C@H](CNC)NC(C)=O.
What is the InChIKey of N-[(2S,3R)-3-methoxy-1-(methylamino)pent-4-en-2-yl]acetamide?
The InChIKey is KKEWTXNUFROMLH-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-5-9(13-4)8(6-10-3)11-7(2)12/h5,8-10H,1,6H2,2-4H3,(H,11,12)/t8-,9+/m0/s1.
What are the key properties of N-[(2S,3R)-3-methoxy-1-(methylamino)pent-4-en-2-yl]acetamide?
N-[(2S,3R)-3-methoxy-1-(methylamino)pent-4-en-2-yl]acetamide has a molecular weight of 186.25 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-3-methoxy-1-(methylamino)pent-4-en-2-yl]acetamide is sourced from PubChem (CID 121392423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).