sodium;(2S)-2-aminotridecanoic acid;hydride

C13H28NNaO2 — CID 174527444

IUPACsodium;(2S)-2-aminotridecanoic acid;hydride
SMILESCCCCCCCCCCC[C@H](N)C(=O)O.[H-].[Na+]
InChIInChI=1S/C13H27NO2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12(14)13(15)16;;/h12H,2-11,14H2,1H3,(H,15,16);;/q;+1;-1/t12-;;/m0../s1
InChIKeyQXOGEZJRKSXZOY-LTCKWSDVSA-N
MW253.36 g/mol
LogP0.44
Rot. Bonds11

About sodium;(2S)-2-aminotridecanoic acid;hydride

sodium;(2S)-2-aminotridecanoic acid;hydride (PubChem CID 174527444) has the molecular formula C13H28NNaO2 and a molecular weight of 253.36 g/mol. Its IUPAC name is sodium;(2S)-2-aminotridecanoic acid;hydride.

Molecular Properties

Compound Namesodium;(2S)-2-aminotridecanoic acid;hydride
PubChem CID174527444
Molecular FormulaC13H28NNaO2
Molecular Weight253.36 g/mol
Exact Mass253.20
IUPAC Namesodium;(2S)-2-aminotridecanoic acid;hydride
SMILESCCCCCCCCCCC[C@H](N)C(=O)O.[H-].[Na+]
InChIInChI=1S/C13H27NO2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12(14)13(15)16;;/h12H,2-11,14H2,1H3,(H,15,16);;/q;+1;-1/t12-;;/m0../s1
InChIKeyQXOGEZJRKSXZOY-LTCKWSDVSA-N
XLogP0.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-aminopentacosanoic acid
CID 158815459
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminododecanoic acid
CID 10560640
2-aminohexadecanoic acid;azane
CID 175267671
2-aminodecanoic acid;prop-2-enoic acid
CID 160700626
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
sodium;2,6-diaminohexanoic acid;dodecane
CID 174884182
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-aminoundecanoic acid;2-methylprop-2-enamide
CID 157268001
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
(2S,3S)-2-amino-3-methylpentanoic acid;2-aminooctanoic acid
CID 158523368
(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid
CID 15825732

Frequently Asked Questions

What is the IUPAC name of sodium;(2S)-2-aminotridecanoic acid;hydride?
The IUPAC name of sodium;(2S)-2-aminotridecanoic acid;hydride (CID 174527444) is sodium;(2S)-2-aminotridecanoic acid;hydride.
What is the SMILES notation for sodium;(2S)-2-aminotridecanoic acid;hydride?
The canonical SMILES for sodium;(2S)-2-aminotridecanoic acid;hydride is CCCCCCCCCCC[C@H](N)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;(2S)-2-aminotridecanoic acid;hydride?
The InChIKey is QXOGEZJRKSXZOY-LTCKWSDVSA-N. The full InChI is InChI=1S/C13H27NO2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12(14)13(15)16;;/h12H,2-11,14H2,1H3,(H,15,16);;/q;+1;-1/t12-;;/m0../s1.
What are the key properties of sodium;(2S)-2-aminotridecanoic acid;hydride?
sodium;(2S)-2-aminotridecanoic acid;hydride has a molecular weight of 253.36 g/mol, XLogP of 0.44, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2S)-2-aminotridecanoic acid;hydride is sourced from PubChem (CID 174527444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).