sodium;2-amino-2-methyl-4-oxopentadecanoic acid;hydride

C16H32NNaO3 — CID 175602641

IUPACsodium;2-amino-2-methyl-4-oxopentadecanoic acid;hydride
SMILESCCCCCCCCCCCC(=O)CC(C)(N)C(=O)O.[H-].[Na+]
InChIInChI=1S/C16H31NO3.Na.H/c1-3-4-5-6-7-8-9-10-11-12-14(18)13-16(2,17)15(19)20;;/h3-13,17H2,1-2H3,(H,19,20);;/q;+1;-1
InChIKeyDHTKOWKOMCDZSF-UHFFFAOYSA-N
MW309.43 g/mol
LogP0.79
Rot. Bonds13

About sodium;2-amino-2-methyl-4-oxopentadecanoic acid;hydride

sodium;2-amino-2-methyl-4-oxopentadecanoic acid;hydride (PubChem CID 175602641) has the molecular formula C16H32NNaO3 and a molecular weight of 309.43 g/mol. Its IUPAC name is sodium;2-amino-2-methyl-4-oxopentadecanoic acid;hydride.

Molecular Properties

Compound Namesodium;2-amino-2-methyl-4-oxopentadecanoic acid;hydride
PubChem CID175602641
Molecular FormulaC16H32NNaO3
Molecular Weight309.43 g/mol
Exact Mass309.23
IUPAC Namesodium;2-amino-2-methyl-4-oxopentadecanoic acid;hydride
SMILESCCCCCCCCCCCC(=O)CC(C)(N)C(=O)O.[H-].[Na+]
InChIInChI=1S/C16H31NO3.Na.H/c1-3-4-5-6-7-8-9-10-11-12-14(18)13-16(2,17)15(19)20;;/h3-13,17H2,1-2H3,(H,19,20);;/q;+1;-1
InChIKeyDHTKOWKOMCDZSF-UHFFFAOYSA-N
XLogP0.79
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium;2-amino-2-methyl-4-oxopentadecanoic acid;hydride 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

2,2-dihydroxyhexacosan-4-one
CID 141351870
(Z)-2-amino-2-[(Z)-octadec-9-enoyl]-4-oxohenicos-12-enoic acid
CID 162469658
1,1,1-trifluoroundecan-3-one
CID 62620056
1,1,1-trifluorotridecan-3-one
CID 14914275
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
calcium;hydride;2-hydroxy-2-methyl-3-oxoicosanoic acid
CID 173104352

Frequently Asked Questions

What is the IUPAC name of sodium;2-amino-2-methyl-4-oxopentadecanoic acid;hydride?
The IUPAC name of sodium;2-amino-2-methyl-4-oxopentadecanoic acid;hydride (CID 175602641) is sodium;2-amino-2-methyl-4-oxopentadecanoic acid;hydride.
What is the SMILES notation for sodium;2-amino-2-methyl-4-oxopentadecanoic acid;hydride?
The canonical SMILES for sodium;2-amino-2-methyl-4-oxopentadecanoic acid;hydride is CCCCCCCCCCCC(=O)CC(C)(N)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-amino-2-methyl-4-oxopentadecanoic acid;hydride?
The InChIKey is DHTKOWKOMCDZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3.Na.H/c1-3-4-5-6-7-8-9-10-11-12-14(18)13-16(2,17)15(19)20;;/h3-13,17H2,1-2H3,(H,19,20);;/q;+1;-1.
What are the key properties of sodium;2-amino-2-methyl-4-oxopentadecanoic acid;hydride?
sodium;2-amino-2-methyl-4-oxopentadecanoic acid;hydride has a molecular weight of 309.43 g/mol, XLogP of 0.79, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-amino-2-methyl-4-oxopentadecanoic acid;hydride is sourced from PubChem (CID 175602641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).