sodium;4-amino-3,3-bis(carboxymethyl)hexanedioic acid;hydride

C10H16NNaO8 — CID 173286235

IUPACsodium;4-amino-3,3-bis(carboxymethyl)hexanedioic acid;hydride
SMILESNC(CC(=O)O)C(CC(=O)O)(CC(=O)O)CC(=O)O.[H-].[Na+]
InChIInChI=1S/C10H15NO8.Na.H/c11-5(1-6(12)13)10(2-7(14)15,3-8(16)17)4-9(18)19;;/h5H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19);;/q;+1;-1
InChIKeyZHKXWCRQHAWVHS-UHFFFAOYSA-N
MW301.23 g/mol
LogP-3.68
Rot. Bonds9

About sodium;4-amino-3,3-bis(carboxymethyl)hexanedioic acid;hydride

sodium;4-amino-3,3-bis(carboxymethyl)hexanedioic acid;hydride (PubChem CID 173286235) has the molecular formula C10H16NNaO8 and a molecular weight of 301.23 g/mol. Its IUPAC name is sodium;4-amino-3,3-bis(carboxymethyl)hexanedioic acid;hydride.

Molecular Properties

Compound Namesodium;4-amino-3,3-bis(carboxymethyl)hexanedioic acid;hydride
PubChem CID173286235
Molecular FormulaC10H16NNaO8
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC Namesodium;4-amino-3,3-bis(carboxymethyl)hexanedioic acid;hydride
SMILESNC(CC(=O)O)C(CC(=O)O)(CC(=O)O)CC(=O)O.[H-].[Na+]
InChIInChI=1S/C10H15NO8.Na.H/c11-5(1-6(12)13)10(2-7(14)15,3-8(16)17)4-9(18)19;;/h5H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19);;/q;+1;-1
InChIKeyZHKXWCRQHAWVHS-UHFFFAOYSA-N
XLogP-3.68
TPSA175.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 5-3.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-fluoro-4,4-bis(fluoromethyl)pentanoic acid;hydrochloride
CID 174838740
3,3,4-tris(carboxymethyl)hexanedioic acid
CID 57274228
2,4-diamino-3,3-bis(carboxymethyl)pentane-1,2,5-tricarboxylic acid
CID 87967860
3-amino-4,4-dimethylpentanoic acid;hydrochloride
CID 89306426
(3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid
CID 135081165
3-amino-4,4-dimethylhexanoic acid
CID 131229522
sodium;3,4-diaminobutanoic acid;hydride
CID 173483530
(1S)-1-aminopropane-1,2,3-tricarboxylic acid
CID 20605454
4-amino-3,3-bis(2-methylpropyl)hexanoic acid
CID 114868864
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
(2R)-2-amino-3,3-difluoropentanedioic acid
CID 21120526
sodium;(3S)-3-amino-4-oxobutanoic acid;hydride
CID 175446278

Frequently Asked Questions

What is the IUPAC name of sodium;4-amino-3,3-bis(carboxymethyl)hexanedioic acid;hydride?
The IUPAC name of sodium;4-amino-3,3-bis(carboxymethyl)hexanedioic acid;hydride (CID 173286235) is sodium;4-amino-3,3-bis(carboxymethyl)hexanedioic acid;hydride.
What is the SMILES notation for sodium;4-amino-3,3-bis(carboxymethyl)hexanedioic acid;hydride?
The canonical SMILES for sodium;4-amino-3,3-bis(carboxymethyl)hexanedioic acid;hydride is NC(CC(=O)O)C(CC(=O)O)(CC(=O)O)CC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;4-amino-3,3-bis(carboxymethyl)hexanedioic acid;hydride?
The InChIKey is ZHKXWCRQHAWVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO8.Na.H/c11-5(1-6(12)13)10(2-7(14)15,3-8(16)17)4-9(18)19;;/h5H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19);;/q;+1;-1.
What are the key properties of sodium;4-amino-3,3-bis(carboxymethyl)hexanedioic acid;hydride?
sodium;4-amino-3,3-bis(carboxymethyl)hexanedioic acid;hydride has a molecular weight of 301.23 g/mol, XLogP of -3.68, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-amino-3,3-bis(carboxymethyl)hexanedioic acid;hydride is sourced from PubChem (CID 173286235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).