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

C7H17N3O2 — CID 103155547

IUPAC4-amino-N-(2-aminoethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCCN
InChIInChI=1S/C7H17N3O2/c1-12-6(5-9)4-7(11)10-3-2-8/h6H,2-5,8-9H2,1H3,(H,10,11)
InChIKeyNGEKABZUCXPWSV-UHFFFAOYSA-N
MW175.23 g/mol
LogP-1.57
Rot. Bonds6

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

4-amino-N-(2-aminoethyl)-3-methoxybutanamide (PubChem CID 103155547) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-amino-N-(2-aminoethyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(2-aminoethyl)-3-methoxybutanamide
PubChem CID103155547
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Name4-amino-N-(2-aminoethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCCN
InChIInChI=1S/C7H17N3O2/c1-12-6(5-9)4-7(11)10-3-2-8/h6H,2-5,8-9H2,1H3,(H,10,11)
InChIKeyNGEKABZUCXPWSV-UHFFFAOYSA-N
XLogP-1.57
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide
CID 114125401
4-amino-N-(2-cyclobutylethyl)-3-methoxybutanamide
CID 103156672
4-amino-N-but-2-ynyl-3-methoxybutanamide
CID 103156644
4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120594933
4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide
CID 103155650
4-amino-N-(2-bromoprop-2-enyl)-3-methoxybutanamide
CID 103156647
4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride
CID 120586575
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide
CID 120588902
4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide
CID 120590079

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-aminoethyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(2-aminoethyl)-3-methoxybutanamide (CID 103155547) is 4-amino-N-(2-aminoethyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(2-aminoethyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(2-aminoethyl)-3-methoxybutanamide is COC(CN)CC(=O)NCCN.
What is the InChIKey of 4-amino-N-(2-aminoethyl)-3-methoxybutanamide?
The InChIKey is NGEKABZUCXPWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-12-6(5-9)4-7(11)10-3-2-8/h6H,2-5,8-9H2,1H3,(H,10,11).
What are the key properties of 4-amino-N-(2-aminoethyl)-3-methoxybutanamide?
4-amino-N-(2-aminoethyl)-3-methoxybutanamide has a molecular weight of 175.23 g/mol, XLogP of -1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-aminoethyl)-3-methoxybutanamide is sourced from PubChem (CID 103155547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).