sodium;diamino heptanedioate;hydride

C7H15N2NaO4 — CID 174435177

IUPACsodium;diamino heptanedioate;hydride
SMILESNOC(=O)CCCCCC(=O)ON.[H-].[Na+]
InChIInChI=1S/C7H14N2O4.Na.H/c8-12-6(10)4-2-1-3-5-7(11)13-9;;/h1-5,8-9H2;;/q;+1;-1
InChIKeyJPYMOZVLSYUZCJ-UHFFFAOYSA-N
MW214.20 g/mol
LogP-3.11
Rot. Bonds6

About sodium;diamino heptanedioate;hydride

sodium;diamino heptanedioate;hydride (PubChem CID 174435177) has the molecular formula C7H15N2NaO4 and a molecular weight of 214.20 g/mol. Its IUPAC name is sodium;diamino heptanedioate;hydride.

Molecular Properties

Compound Namesodium;diamino heptanedioate;hydride
PubChem CID174435177
Molecular FormulaC7H15N2NaO4
Molecular Weight214.20 g/mol
Exact Mass214.09
IUPAC Namesodium;diamino heptanedioate;hydride
SMILESNOC(=O)CCCCCC(=O)ON.[H-].[Na+]
InChIInChI=1S/C7H14N2O4.Na.H/c8-12-6(10)4-2-1-3-5-7(11)13-9;;/h1-5,8-9H2;;/q;+1;-1
InChIKeyJPYMOZVLSYUZCJ-UHFFFAOYSA-N
XLogP-3.11
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 5-3.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

diamino tetradecanedioate
CID 174564109
cyclohexane;diamino decanedioate
CID 70626371
amino 8-aminooctanoate
CID 87659694
amino 5-aminopentanoate
CID 22929227
amino 12-oxododecanoate
CID 57157171
amino 7,7-dimethyloctanoate
CID 156697995
7-O-amino 1-O-tert-butyl heptanedioate
CID 87227654
sodium;diethyl decanedioate;hydride
CID 173076435
amino 6-methylheptanoate
CID 54422100
amino (Z)-octadec-9-enoate
CID 87082504
amino 4-phosphorosobutanoate
CID 87689252
amino 7-hydroxytetradecanoate
CID 57067811

Frequently Asked Questions

What is the IUPAC name of sodium;diamino heptanedioate;hydride?
The IUPAC name of sodium;diamino heptanedioate;hydride (CID 174435177) is sodium;diamino heptanedioate;hydride.
What is the SMILES notation for sodium;diamino heptanedioate;hydride?
The canonical SMILES for sodium;diamino heptanedioate;hydride is NOC(=O)CCCCCC(=O)ON.[H-].[Na+].
What is the InChIKey of sodium;diamino heptanedioate;hydride?
The InChIKey is JPYMOZVLSYUZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4.Na.H/c8-12-6(10)4-2-1-3-5-7(11)13-9;;/h1-5,8-9H2;;/q;+1;-1.
What are the key properties of sodium;diamino heptanedioate;hydride?
sodium;diamino heptanedioate;hydride has a molecular weight of 214.20 g/mol, XLogP of -3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;diamino heptanedioate;hydride is sourced from PubChem (CID 174435177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).