4-amino-N-but-2-ynyl-3-methoxybutanamide

C9H16N2O2 — CID 103156644

IUPAC4-amino-N-but-2-ynyl-3-methoxybutanamide
SMILESCC#CCNC(=O)CC(CN)OC
InChIInChI=1S/C9H16N2O2/c1-3-4-5-11-9(12)6-8(7-10)13-2/h8H,5-7,10H2,1-2H3,(H,11,12)
InChIKeyYVVHMYOKUPQMCD-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.51
Rot. Bonds5

About 4-amino-N-but-2-ynyl-3-methoxybutanamide

4-amino-N-but-2-ynyl-3-methoxybutanamide (PubChem CID 103156644) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-amino-N-but-2-ynyl-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-but-2-ynyl-3-methoxybutanamide
PubChem CID103156644
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-amino-N-but-2-ynyl-3-methoxybutanamide
SMILESCC#CCNC(=O)CC(CN)OC
InChIInChI=1S/C9H16N2O2/c1-3-4-5-11-9(12)6-8(7-10)13-2/h8H,5-7,10H2,1-2H3,(H,11,12)
InChIKeyYVVHMYOKUPQMCD-UHFFFAOYSA-N
XLogP-0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
4-amino-N-(2-bromoprop-2-enyl)-3-methoxybutanamide
CID 103156647
4-amino-N-(2-ethoxypropyl)-3-methoxybutanamide
CID 103156665
4-amino-3-methoxy-N-(3-methylbutan-2-yl)butanamide
CID 103154290
4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide
CID 106247351
4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide
CID 103156713
4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide
CID 103155532
(2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155444
4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide
CID 103155504
2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155386
4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide
CID 114125401
4-amino-N-(2-cyclobutylethyl)-3-methoxybutanamide
CID 103156672

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-but-2-ynyl-3-methoxybutanamide?
The IUPAC name of 4-amino-N-but-2-ynyl-3-methoxybutanamide (CID 103156644) is 4-amino-N-but-2-ynyl-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-but-2-ynyl-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-but-2-ynyl-3-methoxybutanamide is CC#CCNC(=O)CC(CN)OC.
What is the InChIKey of 4-amino-N-but-2-ynyl-3-methoxybutanamide?
The InChIKey is YVVHMYOKUPQMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-4-5-11-9(12)6-8(7-10)13-2/h8H,5-7,10H2,1-2H3,(H,11,12).
What are the key properties of 4-amino-N-but-2-ynyl-3-methoxybutanamide?
4-amino-N-but-2-ynyl-3-methoxybutanamide has a molecular weight of 184.24 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-but-2-ynyl-3-methoxybutanamide is sourced from PubChem (CID 103156644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).