N-[(2S,3R)-2-acetamido-3-methoxypent-4-enyl]acetamide

C10H18N2O3 — CID 121391959

IUPACN-[(2S,3R)-2-acetamido-3-methoxypent-4-enyl]acetamide
SMILESC=C[C@@H](OC)[C@H](CNC(C)=O)NC(C)=O
InChIInChI=1S/C10H18N2O3/c1-5-10(15-4)9(12-8(3)14)6-11-7(2)13/h5,9-10H,1,6H2,2-4H3,(H,11,13)(H,12,14)/t9-,10+/m0/s1
InChIKeyAJYXGAGPIAPQOX-VHSXEESVSA-N
MW214.26 g/mol
LogP-0.17
Rot. Bonds6

About N-[(2S,3R)-2-acetamido-3-methoxypent-4-enyl]acetamide

N-[(2S,3R)-2-acetamido-3-methoxypent-4-enyl]acetamide (PubChem CID 121391959) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N-[(2S,3R)-2-acetamido-3-methoxypent-4-enyl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R)-2-acetamido-3-methoxypent-4-enyl]acetamide
PubChem CID121391959
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN-[(2S,3R)-2-acetamido-3-methoxypent-4-enyl]acetamide
SMILESC=C[C@@H](OC)[C@H](CNC(C)=O)NC(C)=O
InChIInChI=1S/C10H18N2O3/c1-5-10(15-4)9(12-8(3)14)6-11-7(2)13/h5,9-10H,1,6H2,2-4H3,(H,11,13)(H,12,14)/t9-,10+/m0/s1
InChIKeyAJYXGAGPIAPQOX-VHSXEESVSA-N
XLogP-0.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.17
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)-1-amino-3-methoxypent-4-en-2-yl]acetamide
CID 121392103
N-[(2S,3R)-3-methoxy-1-(methylamino)pent-4-en-2-yl]acetamide
CID 121392423
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)-2-acetamido-3-methoxypent-4-enyl]acetamide?
The IUPAC name of N-[(2S,3R)-2-acetamido-3-methoxypent-4-enyl]acetamide (CID 121391959) is N-[(2S,3R)-2-acetamido-3-methoxypent-4-enyl]acetamide.
What is the SMILES notation for N-[(2S,3R)-2-acetamido-3-methoxypent-4-enyl]acetamide?
The canonical SMILES for N-[(2S,3R)-2-acetamido-3-methoxypent-4-enyl]acetamide is C=C[C@@H](OC)[C@H](CNC(C)=O)NC(C)=O.
What is the InChIKey of N-[(2S,3R)-2-acetamido-3-methoxypent-4-enyl]acetamide?
The InChIKey is AJYXGAGPIAPQOX-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-5-10(15-4)9(12-8(3)14)6-11-7(2)13/h5,9-10H,1,6H2,2-4H3,(H,11,13)(H,12,14)/t9-,10+/m0/s1.
What are the key properties of N-[(2S,3R)-2-acetamido-3-methoxypent-4-enyl]acetamide?
N-[(2S,3R)-2-acetamido-3-methoxypent-4-enyl]acetamide has a molecular weight of 214.26 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-acetamido-3-methoxypent-4-enyl]acetamide is sourced from PubChem (CID 121391959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).