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

C7H17N3O2 — CID 62477473

IUPAC2-amino-N-(2-aminoethyl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCCN
InChIInChI=1S/C7H17N3O2/c1-12-5-2-6(9)7(11)10-4-3-8/h6H,2-5,8-9H2,1H3,(H,10,11)
InChIKeyZGDMLQZAKBJIBC-UHFFFAOYSA-N
MW175.23 g/mol
LogP-1.57
Rot. Bonds6

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

2-amino-N-(2-aminoethyl)-4-methoxybutanamide (PubChem CID 62477473) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-amino-N-(2-aminoethyl)-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-(2-aminoethyl)-4-methoxybutanamide
PubChem CID62477473
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Name2-amino-N-(2-aminoethyl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCCN
InChIInChI=1S/C7H17N3O2/c1-12-5-2-6(9)7(11)10-4-3-8/h6H,2-5,8-9H2,1H3,(H,10,11)
InChIKeyZGDMLQZAKBJIBC-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

2-amino-N-(3-aminopropyl)-4-methoxybutanamide
CID 62477474
2-amino-N-(2-hydroxyethyl)-4-methoxybutanamide
CID 62472987
2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide
CID 62473721
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-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
(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 141222319
2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide
CID 106337528

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-aminoethyl)-4-methoxybutanamide?
The IUPAC name of 2-amino-N-(2-aminoethyl)-4-methoxybutanamide (CID 62477473) is 2-amino-N-(2-aminoethyl)-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-(2-aminoethyl)-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-(2-aminoethyl)-4-methoxybutanamide is COCCC(N)C(=O)NCCN.
What is the InChIKey of 2-amino-N-(2-aminoethyl)-4-methoxybutanamide?
The InChIKey is ZGDMLQZAKBJIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-12-5-2-6(9)7(11)10-4-3-8/h6H,2-5,8-9H2,1H3,(H,10,11).
What are the key properties of 2-amino-N-(2-aminoethyl)-4-methoxybutanamide?
2-amino-N-(2-aminoethyl)-4-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 2-amino-N-(2-aminoethyl)-4-methoxybutanamide is sourced from PubChem (CID 62477473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).