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

C11H19N2NaO4 — CID 175046256

IUPACsodium;hydride;4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid
SMILESC=CC(=O)NC(C)(C)C(=O)NCCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C11H18N2O4.Na.H/c1-4-8(14)13-11(2,3)10(17)12-7-5-6-9(15)16;;/h4H,1,5-7H2,2-3H3,(H,12,17)(H,13,14)(H,15,16);;/q;+1;-1
InChIKeyYWJHEBRWHQILNO-UHFFFAOYSA-N
MW266.27 g/mol
LogP-2.84
Rot. Bonds7

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

sodium;hydride;4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid (PubChem CID 175046256) has the molecular formula C11H19N2NaO4 and a molecular weight of 266.27 g/mol. Its IUPAC name is sodium;hydride;4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid.

Molecular Properties

Compound Namesodium;hydride;4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid
PubChem CID175046256
Molecular FormulaC11H19N2NaO4
Molecular Weight266.27 g/mol
Exact Mass266.12
IUPAC Namesodium;hydride;4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid
SMILESC=CC(=O)NC(C)(C)C(=O)NCCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C11H18N2O4.Na.H/c1-4-8(14)13-11(2,3)10(17)12-7-5-6-9(15)16;;/h4H,1,5-7H2,2-3H3,(H,12,17)(H,13,14)(H,15,16);;/q;+1;-1
InChIKeyYWJHEBRWHQILNO-UHFFFAOYSA-N
XLogP-2.84
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 5-2.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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

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Related Compounds

N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide
CID 134339729
10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid
CID 159095160
4-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid
CID 62846365
2-hydroxy-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid
CID 134329092
2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide
CID 102442932
15-(prop-2-enoylamino)pentadecanoic acid
CID 71528159
CID 131887558
CID 131887558
4-(2,2-difluorobutanoylamino)butanoic acid
CID 89018957
N-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide
CID 153102951
3-carboxypropyl-dimethyl-[6-(prop-2-enoylamino)hexyl]azanium
CID 118143398
4-(tert-butylcarbamoylamino)butanoic acid
CID 2185486
diaminomethylidene-[4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butyl]azanium;triethylazanium;sulfate
CID 140596521

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid?
The IUPAC name of sodium;hydride;4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid (CID 175046256) is sodium;hydride;4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid.
What is the SMILES notation for sodium;hydride;4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid?
The canonical SMILES for sodium;hydride;4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid is C=CC(=O)NC(C)(C)C(=O)NCCCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid?
The InChIKey is YWJHEBRWHQILNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4.Na.H/c1-4-8(14)13-11(2,3)10(17)12-7-5-6-9(15)16;;/h4H,1,5-7H2,2-3H3,(H,12,17)(H,13,14)(H,15,16);;/q;+1;-1.
What are the key properties of sodium;hydride;4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid?
sodium;hydride;4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid has a molecular weight of 266.27 g/mol, XLogP of -2.84, 7 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-enoylamino)propanoyl]amino]butanoic acid is sourced from PubChem (CID 175046256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).