sodium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid

C21H42NNaO2 — CID 173150786

IUPACsodium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid
SMILESCCCCCCCC/C=C\CCCCCCCCN(C)CC(=O)O.[H-].[Na+]
InChIInChI=1S/C21H41NO2.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21(23)24;;/h10-11H,3-9,12-20H2,1-2H3,(H,23,24);;/q;+1;-1/b11-10-;;
InChIKeyAZMOYMBSIBUFHA-PQBRBDCOSA-N
MW363.56 g/mol
LogP3.16
Rot. Bonds18

About sodium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid

sodium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid (PubChem CID 173150786) has the molecular formula C21H42NNaO2 and a molecular weight of 363.56 g/mol. Its IUPAC name is sodium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid.

Molecular Properties

Compound Namesodium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid
PubChem CID173150786
Molecular FormulaC21H42NNaO2
Molecular Weight363.56 g/mol
Exact Mass363.31
IUPAC Namesodium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid
SMILESCCCCCCCC/C=C\CCCCCCCCN(C)CC(=O)O.[H-].[Na+]
InChIInChI=1S/C21H41NO2.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21(23)24;;/h10-11H,3-9,12-20H2,1-2H3,(H,23,24);;/q;+1;-1/b11-10-;;
InChIKeyAZMOYMBSIBUFHA-PQBRBDCOSA-N
XLogP3.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.56
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 175691968
CID 175691968
CID 87747954
CID 87747954
calcium;2-[dodecyl(methyl)amino]acetic acid;hydride
CID 173195427
2-[hexyl(methyl)amino]acetic acid
CID 10197909
N-methyl-N-octadec-9-enyloctadec-9-en-1-amine;octadecanoic acid
CID 173229029
2-[methyl(20-oxoicosyl)amino]acetic acid
CID 91508030
sodium 2-[carboxymethyl-[(Z)-octadec-9-enyl]amino]acetate
CID 141011992
(Z)-N-methyl-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine;sulfuric acid
CID 121330534
sodium;hexadec-9-enoic acid;hydride
CID 172998914
sodium;hydride;(Z)-octadec-9-enoic acid
CID 172995005
2-aminoacetic acid;(Z)-N,N-dimethyloctadec-9-en-1-amine
CID 88520561
2-[[(Z)-docos-13-enoyl]-methylamino]acetic acid
CID 109374190

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid?
The IUPAC name of sodium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid (CID 173150786) is sodium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid.
What is the SMILES notation for sodium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid?
The canonical SMILES for sodium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid is CCCCCCCC/C=C\CCCCCCCCN(C)CC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid?
The InChIKey is AZMOYMBSIBUFHA-PQBRBDCOSA-N. The full InChI is InChI=1S/C21H41NO2.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21(23)24;;/h10-11H,3-9,12-20H2,1-2H3,(H,23,24);;/q;+1;-1/b11-10-;;.
What are the key properties of sodium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid?
sodium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid has a molecular weight of 363.56 g/mol, XLogP of 3.16, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid is sourced from PubChem (CID 173150786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).