CID 158432126

C6H14N2Na2O2 — CID 158432126

IUPAC—
SMILESNCCCC[C@H](N)C(=O)O.[Na].[Na]
InChIInChI=1S/C6H14N2O2.2Na/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H,9,10);;/t5-;;/m0../s1
InChIKeyHBTZESUUIBHKBD-XRIGFGBMSA-N
MW192.17 g/mol
LogP-1.23
Rot. Bonds5

About CID 158432126

CID 158432126 (PubChem CID 158432126) has the molecular formula C6H14N2Na2O2 and a molecular weight of 192.17 g/mol.

Molecular Properties

Compound NameCID 158432126
PubChem CID158432126
Molecular FormulaC6H14N2Na2O2
Molecular Weight192.17 g/mol
Exact Mass192.09
IUPAC Name—
SMILESNCCCC[C@H](N)C(=O)O.[Na].[Na]
InChIInChI=1S/C6H14N2O2.2Na/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H,9,10);;/t5-;;/m0../s1
InChIKeyHBTZESUUIBHKBD-XRIGFGBMSA-N
XLogP-1.23
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,13-diaminotridecanoic acid
CID 141414897
2,6-diaminohexanoic acid;titanium
CID 174642581
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
sodium 2,6-diaminohexanoic acid
CID 18320454
(2S)-2,6-bis(15N)(azanyl)hexanoic acid;dihydrochloride
CID 163409206
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180
(2S)-2,6-diaminohexanoic acid;gold
CID 174858889
2-amino-6-(15N)azanylhexanoic acid;dihydrochloride
CID 45157533

Frequently Asked Questions

What is the IUPAC name of CID 158432126?
The IUPAC name of CID 158432126 (CID 158432126) is not available.
What is the SMILES notation for CID 158432126?
The canonical SMILES for CID 158432126 is NCCCC[C@H](N)C(=O)O.[Na].[Na].
What is the InChIKey of CID 158432126?
The InChIKey is HBTZESUUIBHKBD-XRIGFGBMSA-N. The full InChI is InChI=1S/C6H14N2O2.2Na/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H,9,10);;/t5-;;/m0../s1.
What are the key properties of CID 158432126?
CID 158432126 has a molecular weight of 192.17 g/mol, XLogP of -1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158432126 is sourced from PubChem (CID 158432126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).