sodium;(4S)-4-amino-5-dodecoxy-5-oxopentanoic acid;hydride

C17H34NNaO4 — CID 174776148

IUPACsodium;(4S)-4-amino-5-dodecoxy-5-oxopentanoic acid;hydride
SMILESCCCCCCCCCCCCOC(=O)[C@@H](N)CCC(=O)O.[H-].[Na+]
InChIInChI=1S/C17H33NO4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-14-22-17(21)15(18)12-13-16(19)20;;/h15H,2-14,18H2,1H3,(H,19,20);;/q;+1;-1/t15-;;/m0../s1
InChIKeyXBUUKDYIGUYVJL-CKUXDGONSA-N
MW339.45 g/mol
LogP0.76
Rot. Bonds15

About sodium;(4S)-4-amino-5-dodecoxy-5-oxopentanoic acid;hydride

sodium;(4S)-4-amino-5-dodecoxy-5-oxopentanoic acid;hydride (PubChem CID 174776148) has the molecular formula C17H34NNaO4 and a molecular weight of 339.45 g/mol. Its IUPAC name is sodium;(4S)-4-amino-5-dodecoxy-5-oxopentanoic acid;hydride.

Molecular Properties

Compound Namesodium;(4S)-4-amino-5-dodecoxy-5-oxopentanoic acid;hydride
PubChem CID174776148
Molecular FormulaC17H34NNaO4
Molecular Weight339.45 g/mol
Exact Mass339.24
IUPAC Namesodium;(4S)-4-amino-5-dodecoxy-5-oxopentanoic acid;hydride
SMILESCCCCCCCCCCCCOC(=O)[C@@H](N)CCC(=O)O.[H-].[Na+]
InChIInChI=1S/C17H33NO4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-14-22-17(21)15(18)12-13-16(19)20;;/h15H,2-14,18H2,1H3,(H,19,20);;/q;+1;-1/t15-;;/m0../s1
InChIKeyXBUUKDYIGUYVJL-CKUXDGONSA-N
XLogP0.76
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

disodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride
CID 173171637
dioctadecyl 2-aminopentanedioate
CID 10078023
ditetradecyl 2-aminopentanedioate
CID 14459260
dihexyl (2R)-2-aminopentanedioate
CID 87498981
sodium 4-amino-5-oxo-5-tetradecoxypentanoate
CID 23707988
4-amino-5-oxo-5-pentoxypentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol
CID 146306787
dihexadecyl 2-aminopentanedioate;hydrochloride
CID 78067541
heptyl (2R)-2-aminopentanoate
CID 107565724
hexadecyl (2S)-2-aminohexanoate
CID 10808138
heptyl 2-aminopentanoate
CID 61302463
dodecyl 2-aminododecanoate
CID 175586127
sodium;(2S)-2-amino-5-hexadecoxy-5-oxopentanoic acid;hydride
CID 175297961

Frequently Asked Questions

What is the IUPAC name of sodium;(4S)-4-amino-5-dodecoxy-5-oxopentanoic acid;hydride?
The IUPAC name of sodium;(4S)-4-amino-5-dodecoxy-5-oxopentanoic acid;hydride (CID 174776148) is sodium;(4S)-4-amino-5-dodecoxy-5-oxopentanoic acid;hydride.
What is the SMILES notation for sodium;(4S)-4-amino-5-dodecoxy-5-oxopentanoic acid;hydride?
The canonical SMILES for sodium;(4S)-4-amino-5-dodecoxy-5-oxopentanoic acid;hydride is CCCCCCCCCCCCOC(=O)[C@@H](N)CCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;(4S)-4-amino-5-dodecoxy-5-oxopentanoic acid;hydride?
The InChIKey is XBUUKDYIGUYVJL-CKUXDGONSA-N. The full InChI is InChI=1S/C17H33NO4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-14-22-17(21)15(18)12-13-16(19)20;;/h15H,2-14,18H2,1H3,(H,19,20);;/q;+1;-1/t15-;;/m0../s1.
What are the key properties of sodium;(4S)-4-amino-5-dodecoxy-5-oxopentanoic acid;hydride?
sodium;(4S)-4-amino-5-dodecoxy-5-oxopentanoic acid;hydride has a molecular weight of 339.45 g/mol, XLogP of 0.76, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(4S)-4-amino-5-dodecoxy-5-oxopentanoic acid;hydride is sourced from PubChem (CID 174776148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).