N-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide

C9H17N3O3 — CID 66185310

IUPACN-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide
SMILESCC(O)(CO)CNCC(=O)NCCC#N
InChIInChI=1S/C9H17N3O3/c1-9(15,7-13)6-11-5-8(14)12-4-2-3-10/h11,13,15H,2,4-7H2,1H3,(H,12,14)
InChIKeyWWBZDYJTIIMKEY-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.65
Rot. Bonds7

About N-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide

N-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide (PubChem CID 66185310) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide
PubChem CID66185310
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide
SMILESCC(O)(CO)CNCC(=O)NCCC#N
InChIInChI=1S/C9H17N3O3/c1-9(15,7-13)6-11-5-8(14)12-4-2-3-10/h11,13,15H,2,4-7H2,1H3,(H,12,14)
InChIKeyWWBZDYJTIIMKEY-UHFFFAOYSA-N
XLogP-1.65
TPSA105.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide (CID 66185310) is N-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide is CC(O)(CO)CNCC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide?
The InChIKey is WWBZDYJTIIMKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-9(15,7-13)6-11-5-8(14)12-4-2-3-10/h11,13,15H,2,4-7H2,1H3,(H,12,14).
What are the key properties of N-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide?
N-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide has a molecular weight of 215.25 g/mol, XLogP of -1.65, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide is sourced from PubChem (CID 66185310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).