2-acetyl-2-amino-N-(2-aminoethyl)-N'-(2-hydroxyethyl)butanediamide

C10H20N4O4 — CID 91073523

IUPAC2-acetyl-2-amino-N-(2-aminoethyl)-N'-(2-hydroxyethyl)butanediamide
SMILESCC(=O)C(N)(CC(=O)NCCO)C(=O)NCCN
InChIInChI=1S/C10H20N4O4/c1-7(16)10(12,9(18)14-3-2-11)6-8(17)13-4-5-15/h15H,2-6,11-12H2,1H3,(H,13,17)(H,14,18)
InChIKeyZXXRYQNNBNDRKH-UHFFFAOYSA-N
MW260.29 g/mol
LogP-3.15
Rot. Bonds8

About 2-acetyl-2-amino-N-(2-aminoethyl)-N'-(2-hydroxyethyl)butanediamide

2-acetyl-2-amino-N-(2-aminoethyl)-N'-(2-hydroxyethyl)butanediamide (PubChem CID 91073523) has the molecular formula C10H20N4O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-acetyl-2-amino-N-(2-aminoethyl)-N'-(2-hydroxyethyl)butanediamide.

Molecular Properties

Compound Name2-acetyl-2-amino-N-(2-aminoethyl)-N'-(2-hydroxyethyl)butanediamide
PubChem CID91073523
Molecular FormulaC10H20N4O4
Molecular Weight260.29 g/mol
Exact Mass260.15
IUPAC Name2-acetyl-2-amino-N-(2-aminoethyl)-N'-(2-hydroxyethyl)butanediamide
SMILESCC(=O)C(N)(CC(=O)NCCO)C(=O)NCCN
InChIInChI=1S/C10H20N4O4/c1-7(16)10(12,9(18)14-3-2-11)6-8(17)13-4-5-15/h15H,2-6,11-12H2,1H3,(H,13,17)(H,14,18)
InChIKeyZXXRYQNNBNDRKH-UHFFFAOYSA-N
XLogP-3.15
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-3.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-5-hydroxy-3,3-dimethylpentanamide
CID 57198564
N,N'-bis(2-hydroxyethyl)-2,2-bis(sulfanyl)butanediamide
CID 87982116
4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65302363
N-(2-aminoethyl)-3-oxobutanamide
CID 3020471
1-N,1-N,1-N-tris(2-aminoethyl)ethane-1,1,1-tricarboxamide
CID 15388023
3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide
CID 65270025
N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 119382533
N-(2-aminoethyl)-2,2-dimethylpropanamide;hydrochloride
CID 47002886
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
2-(aminomethyl)-4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 106488527
N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide
CID 166130930
2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide
CID 21330073

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-2-amino-N-(2-aminoethyl)-N'-(2-hydroxyethyl)butanediamide?
The IUPAC name of 2-acetyl-2-amino-N-(2-aminoethyl)-N'-(2-hydroxyethyl)butanediamide (CID 91073523) is 2-acetyl-2-amino-N-(2-aminoethyl)-N'-(2-hydroxyethyl)butanediamide.
What is the SMILES notation for 2-acetyl-2-amino-N-(2-aminoethyl)-N'-(2-hydroxyethyl)butanediamide?
The canonical SMILES for 2-acetyl-2-amino-N-(2-aminoethyl)-N'-(2-hydroxyethyl)butanediamide is CC(=O)C(N)(CC(=O)NCCO)C(=O)NCCN.
What is the InChIKey of 2-acetyl-2-amino-N-(2-aminoethyl)-N'-(2-hydroxyethyl)butanediamide?
The InChIKey is ZXXRYQNNBNDRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O4/c1-7(16)10(12,9(18)14-3-2-11)6-8(17)13-4-5-15/h15H,2-6,11-12H2,1H3,(H,13,17)(H,14,18).
What are the key properties of 2-acetyl-2-amino-N-(2-aminoethyl)-N'-(2-hydroxyethyl)butanediamide?
2-acetyl-2-amino-N-(2-aminoethyl)-N'-(2-hydroxyethyl)butanediamide has a molecular weight of 260.29 g/mol, XLogP of -3.15, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-2-amino-N-(2-aminoethyl)-N'-(2-hydroxyethyl)butanediamide is sourced from PubChem (CID 91073523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).