2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide

C8H17N3O3 — CID 62473721

IUPAC2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCCC(N)=O
InChIInChI=1S/C8H17N3O3/c1-14-5-3-6(9)8(13)11-4-2-7(10)12/h6H,2-5,9H2,1H3,(H2,10,12)(H,11,13)
InChIKeyYIYLLGQEUUUNFX-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.66
Rot. Bonds7

About 2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide

2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide (PubChem CID 62473721) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide
PubChem CID62473721
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCCC(N)=O
InChIInChI=1S/C8H17N3O3/c1-14-5-3-6(9)8(13)11-4-2-7(10)12/h6H,2-5,9H2,1H3,(H2,10,12)(H,11,13)
InChIKeyYIYLLGQEUUUNFX-UHFFFAOYSA-N
XLogP-1.66
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-hydroxyethyl)-4-methoxybutanamide
CID 62472987
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
2-amino-N-(3-aminopropyl)-4-methoxybutanamide
CID 62477474
2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide
CID 83110719
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide
CID 62476612
2-amino-N-(3-amino-3-oxopropyl)butanamide
CID 43649631
2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide
CID 62476611
2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid
CID 79456586
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
2-amino-4-methoxy-N-(2-methoxypropyl)butanamide
CID 102695104
2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide
CID 106337528

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide?
The IUPAC name of 2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide (CID 62473721) is 2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide is COCCC(N)C(=O)NCCC(N)=O.
What is the InChIKey of 2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide?
The InChIKey is YIYLLGQEUUUNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-14-5-3-6(9)8(13)11-4-2-7(10)12/h6H,2-5,9H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of 2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide?
2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide has a molecular weight of 203.24 g/mol, XLogP of -1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide is sourced from PubChem (CID 62473721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).