sodium;hydride;4-[[2-methyl-2-(prop-2-enylamino)propanoyl]amino]butanoic acid

C11H21N2NaO3 — CID 175039940

IUPACsodium;hydride;4-[[2-methyl-2-(prop-2-enylamino)propanoyl]amino]butanoic acid
SMILESC=CCNC(C)(C)C(=O)NCCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C11H20N2O3.Na.H/c1-4-7-13-11(2,3)10(16)12-8-5-6-9(14)15;;/h4,13H,1,5-8H2,2-3H3,(H,12,16)(H,14,15);;/q;+1;-1
InChIKeyPBGZGENBEUWCJH-UHFFFAOYSA-N
MW252.29 g/mol
LogP-2.36
Rot. Bonds8

About sodium;hydride;4-[[2-methyl-2-(prop-2-enylamino)propanoyl]amino]butanoic acid

sodium;hydride;4-[[2-methyl-2-(prop-2-enylamino)propanoyl]amino]butanoic acid (PubChem CID 175039940) has the molecular formula C11H21N2NaO3 and a molecular weight of 252.29 g/mol. Its IUPAC name is sodium;hydride;4-[[2-methyl-2-(prop-2-enylamino)propanoyl]amino]butanoic acid.

Molecular Properties

Compound Namesodium;hydride;4-[[2-methyl-2-(prop-2-enylamino)propanoyl]amino]butanoic acid
PubChem CID175039940
Molecular FormulaC11H21N2NaO3
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Namesodium;hydride;4-[[2-methyl-2-(prop-2-enylamino)propanoyl]amino]butanoic acid
SMILESC=CCNC(C)(C)C(=O)NCCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C11H20N2O3.Na.H/c1-4-7-13-11(2,3)10(16)12-8-5-6-9(14)15;;/h4,13H,1,5-8H2,2-3H3,(H,12,16)(H,14,15);;/q;+1;-1
InChIKeyPBGZGENBEUWCJH-UHFFFAOYSA-N
XLogP-2.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-2.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium;hydride;4-[[2-methyl-2-(prop-2-enylamino)propanoyl]amino]butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-[[2-methyl-2-(prop-2-enylamino)propanoyl]amino]butanoic acid?
The IUPAC name of sodium;hydride;4-[[2-methyl-2-(prop-2-enylamino)propanoyl]amino]butanoic acid (CID 175039940) is sodium;hydride;4-[[2-methyl-2-(prop-2-enylamino)propanoyl]amino]butanoic acid.
What is the SMILES notation for sodium;hydride;4-[[2-methyl-2-(prop-2-enylamino)propanoyl]amino]butanoic acid?
The canonical SMILES for sodium;hydride;4-[[2-methyl-2-(prop-2-enylamino)propanoyl]amino]butanoic acid is C=CCNC(C)(C)C(=O)NCCCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-[[2-methyl-2-(prop-2-enylamino)propanoyl]amino]butanoic acid?
The InChIKey is PBGZGENBEUWCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3.Na.H/c1-4-7-13-11(2,3)10(16)12-8-5-6-9(14)15;;/h4,13H,1,5-8H2,2-3H3,(H,12,16)(H,14,15);;/q;+1;-1.
What are the key properties of sodium;hydride;4-[[2-methyl-2-(prop-2-enylamino)propanoyl]amino]butanoic acid?
sodium;hydride;4-[[2-methyl-2-(prop-2-enylamino)propanoyl]amino]butanoic acid has a molecular weight of 252.29 g/mol, XLogP of -2.36, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-[[2-methyl-2-(prop-2-enylamino)propanoyl]amino]butanoic acid is sourced from PubChem (CID 175039940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).