sodium;dodecyl (2S)-2-(methylamino)propanoate;hydride

C16H34NNaO2 — CID 175427051

IUPACsodium;dodecyl (2S)-2-(methylamino)propanoate;hydride
SMILESCCCCCCCCCCCCOC(=O)[C@H](C)NC.[H-].[Na+]
InChIInChI=1S/C16H33NO2.Na.H/c1-4-5-6-7-8-9-10-11-12-13-14-19-16(18)15(2)17-3;;/h15,17H,4-14H2,1-3H3;;/q;+1;-1/t15-;;/m0../s1
InChIKeyFPBRWZNOHFZXMH-CKUXDGONSA-N
MW295.44 g/mol
LogP1.17
Rot. Bonds13

About sodium;dodecyl (2S)-2-(methylamino)propanoate;hydride

sodium;dodecyl (2S)-2-(methylamino)propanoate;hydride (PubChem CID 175427051) has the molecular formula C16H34NNaO2 and a molecular weight of 295.44 g/mol. Its IUPAC name is sodium;dodecyl (2S)-2-(methylamino)propanoate;hydride.

Molecular Properties

Compound Namesodium;dodecyl (2S)-2-(methylamino)propanoate;hydride
PubChem CID175427051
Molecular FormulaC16H34NNaO2
Molecular Weight295.44 g/mol
Exact Mass295.25
IUPAC Namesodium;dodecyl (2S)-2-(methylamino)propanoate;hydride
SMILESCCCCCCCCCCCCOC(=O)[C@H](C)NC.[H-].[Na+]
InChIInChI=1S/C16H33NO2.Na.H/c1-4-5-6-7-8-9-10-11-12-13-14-19-16(18)15(2)17-3;;/h15,17H,4-14H2,1-3H3;;/q;+1;-1/t15-;;/m0../s1
InChIKeyFPBRWZNOHFZXMH-CKUXDGONSA-N
XLogP1.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 51.17
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

sodium;hexadecyl (2S)-2-aminopropanoate;hydride
CID 174388601
propane;propyl (2S)-2-(methylamino)propanoate
CID 171562611
2-butoxyethyl 2-(methylamino)propanoate
CID 62638365
dodecyl (2S)-2-(methoxycarbonylamino)propanoate
CID 20836777
heptadecyl (2S)-2-(butoxycarbonylamino)propanoate
CID 20837023
sodium;dodecyl 2-(1-dodecoxy-1-oxopropan-2-yl)sulfanylpropanoate;hydride
CID 173301943
tetradecyl 2-(propoxycarbonylamino)propanoate
CID 6422780
hexyl 2-(pentanoylamino)propanoate
CID 6420522
lithium;hexadecyl 2-hydroxypropanoate;hydride
CID 174573457
1-O-(2-hydroxyethyl) 3-O-octadecyl 2-methylpropanedioate
CID 153438598
sodium;hexadecyl (2S,3S)-2-amino-3-methylpentanoate;hydride
CID 174767625
heptadecyl (2S)-2-aminopropanoate
CID 122384608

Frequently Asked Questions

What is the IUPAC name of sodium;dodecyl (2S)-2-(methylamino)propanoate;hydride?
The IUPAC name of sodium;dodecyl (2S)-2-(methylamino)propanoate;hydride (CID 175427051) is sodium;dodecyl (2S)-2-(methylamino)propanoate;hydride.
What is the SMILES notation for sodium;dodecyl (2S)-2-(methylamino)propanoate;hydride?
The canonical SMILES for sodium;dodecyl (2S)-2-(methylamino)propanoate;hydride is CCCCCCCCCCCCOC(=O)[C@H](C)NC.[H-].[Na+].
What is the InChIKey of sodium;dodecyl (2S)-2-(methylamino)propanoate;hydride?
The InChIKey is FPBRWZNOHFZXMH-CKUXDGONSA-N. The full InChI is InChI=1S/C16H33NO2.Na.H/c1-4-5-6-7-8-9-10-11-12-13-14-19-16(18)15(2)17-3;;/h15,17H,4-14H2,1-3H3;;/q;+1;-1/t15-;;/m0../s1.
What are the key properties of sodium;dodecyl (2S)-2-(methylamino)propanoate;hydride?
sodium;dodecyl (2S)-2-(methylamino)propanoate;hydride has a molecular weight of 295.44 g/mol, XLogP of 1.17, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecyl (2S)-2-(methylamino)propanoate;hydride is sourced from PubChem (CID 175427051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).