sodium;3-aminohenicosanoic acid;hydride

C21H44NNaO2 — CID 175144455

IUPACsodium;3-aminohenicosanoic acid;hydride
SMILESCCCCCCCCCCCCCCCCCCC(N)CC(=O)O.[H-].[Na+]
InChIInChI=1S/C21H43NO2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19-21(23)24;;/h20H,2-19,22H2,1H3,(H,23,24);;/q;+1;-1
InChIKeyPORCFSNKTMSULR-UHFFFAOYSA-N
MW365.58 g/mol
LogP3.56
Rot. Bonds19

About sodium;3-aminohenicosanoic acid;hydride

sodium;3-aminohenicosanoic acid;hydride (PubChem CID 175144455) has the molecular formula C21H44NNaO2 and a molecular weight of 365.58 g/mol. Its IUPAC name is sodium;3-aminohenicosanoic acid;hydride.

Molecular Properties

Compound Namesodium;3-aminohenicosanoic acid;hydride
PubChem CID175144455
Molecular FormulaC21H44NNaO2
Molecular Weight365.58 g/mol
Exact Mass365.33
IUPAC Namesodium;3-aminohenicosanoic acid;hydride
SMILESCCCCCCCCCCCCCCCCCCC(N)CC(=O)O.[H-].[Na+]
InChIInChI=1S/C21H43NO2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19-21(23)24;;/h20H,2-19,22H2,1H3,(H,23,24);;/q;+1;-1
InChIKeyPORCFSNKTMSULR-UHFFFAOYSA-N
XLogP3.56
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.58
LogP ≤ 53.56
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

3-aminononanoic acid
CID 2832746
sodium;heptane-1,2-diamine;hydride;propanoic acid
CID 175479075
3-aminoundecanamide
CID 154005326
acetic acid;heptatriacontan-19-amine
CID 173373447
9-aminopentadecanoic acid
CID 87304604
propanoic acid;tetradecan-2-amine
CID 173174901
4-aminoicosanoic acid
CID 57269724
4-aminooctadecanoic acid
CID 154390224
sodium;(2S)-2-aminotridecanoic acid;hydride
CID 174527444
3-heptylpentanedioic acid
CID 14574131
3-tetradecyloctadecanoic acid
CID 18954670
3,7-diaminoheptanoic acid
CID 4695301

Frequently Asked Questions

What is the IUPAC name of sodium;3-aminohenicosanoic acid;hydride?
The IUPAC name of sodium;3-aminohenicosanoic acid;hydride (CID 175144455) is sodium;3-aminohenicosanoic acid;hydride.
What is the SMILES notation for sodium;3-aminohenicosanoic acid;hydride?
The canonical SMILES for sodium;3-aminohenicosanoic acid;hydride is CCCCCCCCCCCCCCCCCCC(N)CC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;3-aminohenicosanoic acid;hydride?
The InChIKey is PORCFSNKTMSULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19-21(23)24;;/h20H,2-19,22H2,1H3,(H,23,24);;/q;+1;-1.
What are the key properties of sodium;3-aminohenicosanoic acid;hydride?
sodium;3-aminohenicosanoic acid;hydride has a molecular weight of 365.58 g/mol, XLogP of 3.56, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-aminohenicosanoic acid;hydride is sourced from PubChem (CID 175144455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).