2-cyano-3-hydroxy-3-methylpentanediamide

C7H11N3O3 — CID 54050427

IUPAC2-cyano-3-hydroxy-3-methylpentanediamide
SMILESCC(O)(CC(N)=O)C(C#N)C(N)=O
InChIInChI=1S/C7H11N3O3/c1-7(13,2-5(9)11)4(3-8)6(10)12/h4,13H,2H2,1H3,(H2,9,11)(H2,10,12)
InChIKeyLSMRXPKEWRGXLS-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.76
Rot. Bonds4

About 2-cyano-3-hydroxy-3-methylpentanediamide

2-cyano-3-hydroxy-3-methylpentanediamide (PubChem CID 54050427) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-cyano-3-hydroxy-3-methylpentanediamide.

Molecular Properties

Compound Name2-cyano-3-hydroxy-3-methylpentanediamide
PubChem CID54050427
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-cyano-3-hydroxy-3-methylpentanediamide
SMILESCC(O)(CC(N)=O)C(C#N)C(N)=O
InChIInChI=1S/C7H11N3O3/c1-7(13,2-5(9)11)4(3-8)6(10)12/h4,13H,2H2,1H3,(H2,9,11)(H2,10,12)
InChIKeyLSMRXPKEWRGXLS-UHFFFAOYSA-N
XLogP-1.76
TPSA130.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-cyano-3-hydroxy-3-methylpentanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dicyano-3,3-dimethylpentanediamide
CID 4230422
3-(2-amino-2-oxoethyl)-3-methylpentanediamide
CID 86237649
ethyl 2-cyano-3,3-dimethylpent-4-ynoate
CID 14985551
(2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide
CID 55284755
3,4-dimethyl-3-propan-2-ylpentanamide
CID 89429040
ethyl 2-cyano-3,3-dimethylpentanoate
CID 15446073
3,3-dichlorobutanamide
CID 57160976
3,3,11,11-tetramethyltridecanediamide
CID 91353745
3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide
CID 139781275
2-(2-hydroxypropan-2-yl)-4-methylpentanenitrile
CID 24972337
2-cyano-2-methylsulfonylacetamide
CID 71352728
ethyl 2-cyano-6-ethoxy-3,3,6-trimethyl-4-oxoheptanoate
CID 154169016

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-hydroxy-3-methylpentanediamide?
The IUPAC name of 2-cyano-3-hydroxy-3-methylpentanediamide (CID 54050427) is 2-cyano-3-hydroxy-3-methylpentanediamide.
What is the SMILES notation for 2-cyano-3-hydroxy-3-methylpentanediamide?
The canonical SMILES for 2-cyano-3-hydroxy-3-methylpentanediamide is CC(O)(CC(N)=O)C(C#N)C(N)=O.
What is the InChIKey of 2-cyano-3-hydroxy-3-methylpentanediamide?
The InChIKey is LSMRXPKEWRGXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-7(13,2-5(9)11)4(3-8)6(10)12/h4,13H,2H2,1H3,(H2,9,11)(H2,10,12).
What are the key properties of 2-cyano-3-hydroxy-3-methylpentanediamide?
2-cyano-3-hydroxy-3-methylpentanediamide has a molecular weight of 185.18 g/mol, XLogP of -1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-hydroxy-3-methylpentanediamide is sourced from PubChem (CID 54050427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).