4-amino-N-(2-amino-2-oxoethoxy)butanamide

C6H13N3O3 — CID 112674157

IUPAC4-amino-N-(2-amino-2-oxoethoxy)butanamide
SMILESNCCCC(=O)NOCC(N)=O
InChIInChI=1S/C6H13N3O3/c7-3-1-2-6(11)9-12-4-5(8)10/h1-4,7H2,(H2,8,10)(H,9,11)
InChIKeyJUMCZIJAQLTPRT-UHFFFAOYSA-N
MW175.19 g/mol
LogP-1.74
Rot. Bonds6

About 4-amino-N-(2-amino-2-oxoethoxy)butanamide

4-amino-N-(2-amino-2-oxoethoxy)butanamide (PubChem CID 112674157) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethoxy)butanamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethoxy)butanamide
PubChem CID112674157
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Name4-amino-N-(2-amino-2-oxoethoxy)butanamide
SMILESNCCCC(=O)NOCC(N)=O
InChIInChI=1S/C6H13N3O3/c7-3-1-2-6(11)9-12-4-5(8)10/h1-4,7H2,(H2,8,10)(H,9,11)
InChIKeyJUMCZIJAQLTPRT-UHFFFAOYSA-N
XLogP-1.74
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-(2-amino-2-oxoethoxy)heptanamide
CID 112674126
N-(2-amino-2-oxoethoxy)pentanamide
CID 112550822
N-(2-amino-2-oxoethoxy)butanamide
CID 112550491
N-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide
CID 112551095
N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide
CID 112674083
2-[(2-chloroacetyl)amino]oxyacetamide
CID 112673327
2-[(2-bromoacetyl)amino]oxyacetamide
CID 112673326
4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide
CID 112674089
2-amino-N-[2-[(2-amino-2-oxoethoxy)amino]-2-oxoethyl]acetamide
CID 112674251
N-(2-amino-2-oxoethoxy)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 112550669
N-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide
CID 112550922
2-[(2-ethoxyacetyl)amino]oxyacetamide
CID 112550612

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethoxy)butanamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethoxy)butanamide (CID 112674157) is 4-amino-N-(2-amino-2-oxoethoxy)butanamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethoxy)butanamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethoxy)butanamide is NCCCC(=O)NOCC(N)=O.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethoxy)butanamide?
The InChIKey is JUMCZIJAQLTPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3/c7-3-1-2-6(11)9-12-4-5(8)10/h1-4,7H2,(H2,8,10)(H,9,11).
What are the key properties of 4-amino-N-(2-amino-2-oxoethoxy)butanamide?
4-amino-N-(2-amino-2-oxoethoxy)butanamide has a molecular weight of 175.19 g/mol, XLogP of -1.74, 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-amino-2-oxoethoxy)butanamide is sourced from PubChem (CID 112674157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).