sodium;3-amino-3-(aminomethyl)-5-hydroxypentanoic acid;pentane

C11H25N2NaO3 — CID 87500546

IUPACsodium;3-amino-3-(aminomethyl)-5-hydroxypentanoic acid;pentane
SMILESNCC(N)(CCO)CC(=O)O.[CH2-]CCCC.[Na+]
InChIInChI=1S/C6H14N2O3.C5H11.Na/c7-4-6(8,1-2-9)3-5(10)11;1-3-5-4-2;/h9H,1-4,7-8H2,(H,10,11);1,3-5H2,2H3;/q;-1;+1
InChIKeyHGHWPRYSACINDH-UHFFFAOYSA-N
MW256.32 g/mol
LogP-2.49
Rot. Bonds7

About sodium;3-amino-3-(aminomethyl)-5-hydroxypentanoic acid;pentane

sodium;3-amino-3-(aminomethyl)-5-hydroxypentanoic acid;pentane (PubChem CID 87500546) has the molecular formula C11H25N2NaO3 and a molecular weight of 256.32 g/mol. Its IUPAC name is sodium;3-amino-3-(aminomethyl)-5-hydroxypentanoic acid;pentane.

Molecular Properties

Compound Namesodium;3-amino-3-(aminomethyl)-5-hydroxypentanoic acid;pentane
PubChem CID87500546
Molecular FormulaC11H25N2NaO3
Molecular Weight256.32 g/mol
Exact Mass256.18
IUPAC Namesodium;3-amino-3-(aminomethyl)-5-hydroxypentanoic acid;pentane
SMILESNCC(N)(CCO)CC(=O)O.[CH2-]CCCC.[Na+]
InChIInChI=1S/C6H14N2O3.C5H11.Na/c7-4-6(8,1-2-9)3-5(10)11;1-3-5-4-2;/h9H,1-4,7-8H2,(H,10,11);1,3-5H2,2H3;/q;-1;+1
InChIKeyHGHWPRYSACINDH-UHFFFAOYSA-N
XLogP-2.49
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 5-2.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-propylhexanoic acid
CID 64665150
(3S)-3-(aminomethyl)-3-methylheptanoic acid
CID 102044731
3-amino-3-methylheptanoic acid
CID 53262232
acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol
CID 173173099
3-amino-3-hexadecylpentane-1,5-diol;hydrochloride
CID 173408839
3,3-bis(sulfanyl)heptanoic acid
CID 175423942
3-(aminomethyl)-3-propylhexanoic acid
CID 66096632
3-amino-3-octadecylpentane-1,5-diol;hydrochloride
CID 173050553
3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride
CID 141270736
2-aminoacetic acid;pentan-1-ol
CID 174655411
potassium;2-aminoacetic acid;decanoic acid;pentane
CID 175056178
sodium;dodecane;propanedioic acid
CID 174969045

Frequently Asked Questions

What is the IUPAC name of sodium;3-amino-3-(aminomethyl)-5-hydroxypentanoic acid;pentane?
The IUPAC name of sodium;3-amino-3-(aminomethyl)-5-hydroxypentanoic acid;pentane (CID 87500546) is sodium;3-amino-3-(aminomethyl)-5-hydroxypentanoic acid;pentane.
What is the SMILES notation for sodium;3-amino-3-(aminomethyl)-5-hydroxypentanoic acid;pentane?
The canonical SMILES for sodium;3-amino-3-(aminomethyl)-5-hydroxypentanoic acid;pentane is NCC(N)(CCO)CC(=O)O.[CH2-]CCCC.[Na+].
What is the InChIKey of sodium;3-amino-3-(aminomethyl)-5-hydroxypentanoic acid;pentane?
The InChIKey is HGHWPRYSACINDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3.C5H11.Na/c7-4-6(8,1-2-9)3-5(10)11;1-3-5-4-2;/h9H,1-4,7-8H2,(H,10,11);1,3-5H2,2H3;/q;-1;+1.
What are the key properties of sodium;3-amino-3-(aminomethyl)-5-hydroxypentanoic acid;pentane?
sodium;3-amino-3-(aminomethyl)-5-hydroxypentanoic acid;pentane has a molecular weight of 256.32 g/mol, XLogP of -2.49, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-amino-3-(aminomethyl)-5-hydroxypentanoic acid;pentane is sourced from PubChem (CID 87500546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).