sodium;hexadecyl (2S)-2-aminopropanoate;hydride

C19H40NNaO2 — CID 174388601

IUPACsodium;hexadecyl (2S)-2-aminopropanoate;hydride
SMILESCCCCCCCCCCCCCCCCOC(=O)[C@H](C)N.[H-].[Na+]
InChIInChI=1S/C19H39NO2.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19(21)18(2)20;;/h18H,3-17,20H2,1-2H3;;/q;+1;-1/t18-;;/m0../s1
InChIKeyUJJNQBISCFBPHK-NTEVMMBTSA-N
MW337.52 g/mol
LogP2.47
Rot. Bonds16

About sodium;hexadecyl (2S)-2-aminopropanoate;hydride

sodium;hexadecyl (2S)-2-aminopropanoate;hydride (PubChem CID 174388601) has the molecular formula C19H40NNaO2 and a molecular weight of 337.52 g/mol. Its IUPAC name is sodium;hexadecyl (2S)-2-aminopropanoate;hydride.

Molecular Properties

Compound Namesodium;hexadecyl (2S)-2-aminopropanoate;hydride
PubChem CID174388601
Molecular FormulaC19H40NNaO2
Molecular Weight337.52 g/mol
Exact Mass337.30
IUPAC Namesodium;hexadecyl (2S)-2-aminopropanoate;hydride
SMILESCCCCCCCCCCCCCCCCOC(=O)[C@H](C)N.[H-].[Na+]
InChIInChI=1S/C19H39NO2.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19(21)18(2)20;;/h18H,3-17,20H2,1-2H3;;/q;+1;-1/t18-;;/m0../s1
InChIKeyUJJNQBISCFBPHK-NTEVMMBTSA-N
XLogP2.47
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.52
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptyl 2-aminopropanoate
CID 14657662
heptadecyl (2S)-2-aminopropanoate
CID 122384608
dodecyl (2R)-2-aminopropanoate;hydrochloride
CID 156902416
dodecyl (2S)-2-aminopropanoate;oxalic acid
CID 88810980
sodium;hexadecyl (2S,3S)-2-amino-3-methylpentanoate;hydride
CID 174767625
2-hexoxyethyl 2-aminopropanoate;hydrochloride
CID 74957486
sodium;dodecyl 2-(1-dodecoxy-1-oxopropan-2-yl)sulfanylpropanoate;hydride
CID 173301943
lithium;hexadecyl 2-hydroxypropanoate;hydride
CID 174573457
dodecyl 2-amino-3-methylbutanoate
CID 6453804
sodium;dodecyl (2S)-2-(methylamino)propanoate;hydride
CID 175427051
butyl (2S)-2-aminopropanoate;2-hydroxypropanoic acid
CID 87380952
dodecyl (2S)-2-amino-3-methylpentanoate
CID 88628969

Frequently Asked Questions

What is the IUPAC name of sodium;hexadecyl (2S)-2-aminopropanoate;hydride?
The IUPAC name of sodium;hexadecyl (2S)-2-aminopropanoate;hydride (CID 174388601) is sodium;hexadecyl (2S)-2-aminopropanoate;hydride.
What is the SMILES notation for sodium;hexadecyl (2S)-2-aminopropanoate;hydride?
The canonical SMILES for sodium;hexadecyl (2S)-2-aminopropanoate;hydride is CCCCCCCCCCCCCCCCOC(=O)[C@H](C)N.[H-].[Na+].
What is the InChIKey of sodium;hexadecyl (2S)-2-aminopropanoate;hydride?
The InChIKey is UJJNQBISCFBPHK-NTEVMMBTSA-N. The full InChI is InChI=1S/C19H39NO2.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19(21)18(2)20;;/h18H,3-17,20H2,1-2H3;;/q;+1;-1/t18-;;/m0../s1.
What are the key properties of sodium;hexadecyl (2S)-2-aminopropanoate;hydride?
sodium;hexadecyl (2S)-2-aminopropanoate;hydride has a molecular weight of 337.52 g/mol, XLogP of 2.47, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hexadecyl (2S)-2-aminopropanoate;hydride is sourced from PubChem (CID 174388601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).