2-amino-N-(cyanomethyl)-5-methoxypentanamide

C8H15N3O2 — CID 81089065

IUPAC2-amino-N-(cyanomethyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCC#N
InChIInChI=1S/C8H15N3O2/c1-13-6-2-3-7(10)8(12)11-5-4-9/h7H,2-3,5-6,10H2,1H3,(H,11,12)
InChIKeyYLQPULIFTQEYQG-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.62
Rot. Bonds6

About 2-amino-N-(cyanomethyl)-5-methoxypentanamide

2-amino-N-(cyanomethyl)-5-methoxypentanamide (PubChem CID 81089065) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-amino-N-(cyanomethyl)-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-(cyanomethyl)-5-methoxypentanamide
PubChem CID81089065
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-amino-N-(cyanomethyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCC#N
InChIInChI=1S/C8H15N3O2/c1-13-6-2-3-7(10)8(12)11-5-4-9/h7H,2-3,5-6,10H2,1H3,(H,11,12)
InChIKeyYLQPULIFTQEYQG-UHFFFAOYSA-N
XLogP-0.62
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
2-amino-5-methoxy-N-propylpentanamide
CID 81082005
3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid
CID 81102712
[5-amino-6-(cyanomethylamino)-6-oxohexyl]carbamic acid
CID 87849237
2-amino-5-methoxy-N-(4-methylpentyl)pentanamide
CID 81089350
2-amino-5-methoxypentanoic acid
CID 18361135
2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid
CID 81101109
2-amino-N-benzyl-5-methoxypentanamide
CID 81081027
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide
CID 81081228
(2S)-2-amino-N-(cyanomethyl)-4-methylsulfanylbutanamide
CID 61252327
2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 81102476
2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide
CID 114125405

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyanomethyl)-5-methoxypentanamide?
The IUPAC name of 2-amino-N-(cyanomethyl)-5-methoxypentanamide (CID 81089065) is 2-amino-N-(cyanomethyl)-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-(cyanomethyl)-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-(cyanomethyl)-5-methoxypentanamide is COCCCC(N)C(=O)NCC#N.
What is the InChIKey of 2-amino-N-(cyanomethyl)-5-methoxypentanamide?
The InChIKey is YLQPULIFTQEYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-13-6-2-3-7(10)8(12)11-5-4-9/h7H,2-3,5-6,10H2,1H3,(H,11,12).
What are the key properties of 2-amino-N-(cyanomethyl)-5-methoxypentanamide?
2-amino-N-(cyanomethyl)-5-methoxypentanamide has a molecular weight of 185.23 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyanomethyl)-5-methoxypentanamide is sourced from PubChem (CID 81089065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).