sodium 4-amino-5-oxo-5-tetradecoxypentanoate

C19H36NNaO4 — CID 23707988

IUPACsodium 4-amino-5-oxo-5-tetradecoxypentanoate
SMILESCCCCCCCCCCCCCCOC(=O)C(N)CCC(=O)[O-].[Na+]
InChIInChI=1S/C19H37NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24-19(23)17(20)14-15-18(21)22;/h17H,2-16,20H2,1H3,(H,21,22);/q;+1/p-1
InChIKeyPWZDAQKVUDZPRI-UHFFFAOYSA-M
MW365.49 g/mol
LogP0.09
Rot. Bonds17

About sodium 4-amino-5-oxo-5-tetradecoxypentanoate

sodium 4-amino-5-oxo-5-tetradecoxypentanoate (PubChem CID 23707988) has the molecular formula C19H36NNaO4 and a molecular weight of 365.49 g/mol. Its IUPAC name is sodium 4-amino-5-oxo-5-tetradecoxypentanoate.

Molecular Properties

Compound Namesodium 4-amino-5-oxo-5-tetradecoxypentanoate
PubChem CID23707988
Molecular FormulaC19H36NNaO4
Molecular Weight365.49 g/mol
Exact Mass365.25
IUPAC Namesodium 4-amino-5-oxo-5-tetradecoxypentanoate
SMILESCCCCCCCCCCCCCCOC(=O)C(N)CCC(=O)[O-].[Na+]
InChIInChI=1S/C19H37NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24-19(23)17(20)14-15-18(21)22;/h17H,2-16,20H2,1H3,(H,21,22);/q;+1/p-1
InChIKeyPWZDAQKVUDZPRI-UHFFFAOYSA-M
XLogP0.09
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze sodium 4-amino-5-oxo-5-tetradecoxypentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dioctadecyl 2-aminopentanedioate
CID 10078023
ditetradecyl 2-aminopentanedioate
CID 14459260
dihexyl (2R)-2-aminopentanedioate
CID 87498981
sodium;(4S)-4-amino-5-dodecoxy-5-oxopentanoic acid;hydride
CID 174776148
dihexadecyl 2-aminopentanedioate;hydrochloride
CID 78067541
hexadecyl (2S)-2-aminohexanoate
CID 10808138
heptyl (2R)-2-aminopentanoate
CID 107565724
heptyl 2-aminopentanoate
CID 61302463
dodecyl 2-aminododecanoate
CID 175586127
disodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride
CID 173171637
dipentyl (2S)-2-aminopentanedioate;hydrochloride
CID 139951057
(3S)-3-amino-4-hexoxy-4-oxobutanoate
CID 71371334

Frequently Asked Questions

What is the IUPAC name of sodium 4-amino-5-oxo-5-tetradecoxypentanoate?
The IUPAC name of sodium 4-amino-5-oxo-5-tetradecoxypentanoate (CID 23707988) is sodium 4-amino-5-oxo-5-tetradecoxypentanoate.
What is the SMILES notation for sodium 4-amino-5-oxo-5-tetradecoxypentanoate?
The canonical SMILES for sodium 4-amino-5-oxo-5-tetradecoxypentanoate is CCCCCCCCCCCCCCOC(=O)C(N)CCC(=O)[O-].[Na+].
What is the InChIKey of sodium 4-amino-5-oxo-5-tetradecoxypentanoate?
The InChIKey is PWZDAQKVUDZPRI-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H37NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24-19(23)17(20)14-15-18(21)22;/h17H,2-16,20H2,1H3,(H,21,22);/q;+1/p-1.
What are the key properties of sodium 4-amino-5-oxo-5-tetradecoxypentanoate?
sodium 4-amino-5-oxo-5-tetradecoxypentanoate has a molecular weight of 365.49 g/mol, XLogP of 0.09, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-amino-5-oxo-5-tetradecoxypentanoate is sourced from PubChem (CID 23707988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).