disodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride

C10H21NNa2O4 — CID 173171637

IUPACdisodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride
SMILESCCCCCOC(=O)C(N)CCC(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C10H19NO4.2Na.2H/c1-2-3-4-7-15-10(14)8(11)5-6-9(12)13;;;;/h8H,2-7,11H2,1H3,(H,12,13);;;;/q;2*+1;2*-1
InChIKeySOSBSYYAGGAKLH-UHFFFAOYSA-N
MW265.26 g/mol
LogP-4.86
Rot. Bonds8

About disodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride

disodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride (PubChem CID 173171637) has the molecular formula C10H21NNa2O4 and a molecular weight of 265.26 g/mol. Its IUPAC name is disodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride.

Molecular Properties

Compound Namedisodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride
PubChem CID173171637
Molecular FormulaC10H21NNa2O4
Molecular Weight265.26 g/mol
Exact Mass265.13
IUPAC Namedisodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride
SMILESCCCCCOC(=O)C(N)CCC(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C10H19NO4.2Na.2H/c1-2-3-4-7-15-10(14)8(11)5-6-9(12)13;;;;/h8H,2-7,11H2,1H3,(H,12,13);;;;/q;2*+1;2*-1
InChIKeySOSBSYYAGGAKLH-UHFFFAOYSA-N
XLogP-4.86
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 5-4.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;(4S)-4-amino-5-dodecoxy-5-oxopentanoic acid;hydride
CID 174776148
4-amino-5-oxo-5-pentoxypentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol
CID 146306787
dioctadecyl 2-aminopentanedioate
CID 10078023
ditetradecyl 2-aminopentanedioate
CID 14459260
dihexyl (2R)-2-aminopentanedioate
CID 87498981
dipentyl (2S)-2-aminopentanedioate;hydrochloride
CID 139951057
sodium 4-amino-5-oxo-5-tetradecoxypentanoate
CID 23707988
dihexadecyl 2-aminopentanedioate;hydrochloride
CID 78067541
sodium;(2S)-2-amino-5-hexadecoxy-5-oxopentanoic acid;hydride
CID 175297961
dodecyl 2-aminododecanoate
CID 175586127
heptyl (2R)-2-aminopentanoate
CID 107565724
heptyl 2-aminopentanoate
CID 61302463

Frequently Asked Questions

What is the IUPAC name of disodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride?
The IUPAC name of disodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride (CID 173171637) is disodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride.
What is the SMILES notation for disodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride?
The canonical SMILES for disodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride is CCCCCOC(=O)C(N)CCC(=O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride?
The InChIKey is SOSBSYYAGGAKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4.2Na.2H/c1-2-3-4-7-15-10(14)8(11)5-6-9(12)13;;;;/h8H,2-7,11H2,1H3,(H,12,13);;;;/q;2*+1;2*-1.
What are the key properties of disodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride?
disodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride has a molecular weight of 265.26 g/mol, XLogP of -4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride is sourced from PubChem (CID 173171637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).