sodium;3-(4,5-dihydroimidazol-1-yloxycarbonyl)hexanoic acid;hydride

C10H17N2NaO4 — CID 175172639

IUPACsodium;3-(4,5-dihydroimidazol-1-yloxycarbonyl)hexanoic acid;hydride
SMILESCCCC(CC(=O)O)C(=O)ON1C=NCC1.[H-].[Na+]
InChIInChI=1S/C10H16N2O4.Na.H/c1-2-3-8(6-9(13)14)10(15)16-12-5-4-11-7-12;;/h7-8H,2-6H2,1H3,(H,13,14);;/q;+1;-1
InChIKeyAAGFCOLNSBWLRT-UHFFFAOYSA-N
MW252.25 g/mol
LogP-2.20
Rot. Bonds6

About sodium;3-(4,5-dihydroimidazol-1-yloxycarbonyl)hexanoic acid;hydride

sodium;3-(4,5-dihydroimidazol-1-yloxycarbonyl)hexanoic acid;hydride (PubChem CID 175172639) has the molecular formula C10H17N2NaO4 and a molecular weight of 252.25 g/mol. Its IUPAC name is sodium;3-(4,5-dihydroimidazol-1-yloxycarbonyl)hexanoic acid;hydride.

Molecular Properties

Compound Namesodium;3-(4,5-dihydroimidazol-1-yloxycarbonyl)hexanoic acid;hydride
PubChem CID175172639
Molecular FormulaC10H17N2NaO4
Molecular Weight252.25 g/mol
Exact Mass252.11
IUPAC Namesodium;3-(4,5-dihydroimidazol-1-yloxycarbonyl)hexanoic acid;hydride
SMILESCCCC(CC(=O)O)C(=O)ON1C=NCC1.[H-].[Na+]
InChIInChI=1S/C10H16N2O4.Na.H/c1-2-3-8(6-9(13)14)10(15)16-12-5-4-11-7-12;;/h7-8H,2-6H2,1H3,(H,13,14);;/q;+1;-1
InChIKeyAAGFCOLNSBWLRT-UHFFFAOYSA-N
XLogP-2.20
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 5-2.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dihydroimidazol-1-yl propanoate
CID 56996617
(2S)-2-propylbutanedioic acid
CID 12648185
3-(ethylcarbamoyl)hexanoic acid
CID 112515142
2-propylpentanoyl 2-propylpentanoate
CID 10923624
calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027
3-cyclohexyloxycarbonylheptanoic acid
CID 175582119
3-(1-phenylpropa-1,2-dienoxycarbonyl)hexanoic acid
CID 174374124
3-propan-2-yloxycarbonylheptanoic acid
CID 139963365
3-(4,5-dihydroimidazol-1-yl)-7-hydroxyhept-6-enoic acid
CID 174453430
3-(1-methoxypropan-2-yloxycarbonyl)heptanoic acid
CID 118434133
1-azabicyclo[2.2.2]octan-3-yl 2-propylpentanoate;hydrochloride
CID 177370629

Frequently Asked Questions

What is the IUPAC name of sodium;3-(4,5-dihydroimidazol-1-yloxycarbonyl)hexanoic acid;hydride?
The IUPAC name of sodium;3-(4,5-dihydroimidazol-1-yloxycarbonyl)hexanoic acid;hydride (CID 175172639) is sodium;3-(4,5-dihydroimidazol-1-yloxycarbonyl)hexanoic acid;hydride.
What is the SMILES notation for sodium;3-(4,5-dihydroimidazol-1-yloxycarbonyl)hexanoic acid;hydride?
The canonical SMILES for sodium;3-(4,5-dihydroimidazol-1-yloxycarbonyl)hexanoic acid;hydride is CCCC(CC(=O)O)C(=O)ON1C=NCC1.[H-].[Na+].
What is the InChIKey of sodium;3-(4,5-dihydroimidazol-1-yloxycarbonyl)hexanoic acid;hydride?
The InChIKey is AAGFCOLNSBWLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4.Na.H/c1-2-3-8(6-9(13)14)10(15)16-12-5-4-11-7-12;;/h7-8H,2-6H2,1H3,(H,13,14);;/q;+1;-1.
What are the key properties of sodium;3-(4,5-dihydroimidazol-1-yloxycarbonyl)hexanoic acid;hydride?
sodium;3-(4,5-dihydroimidazol-1-yloxycarbonyl)hexanoic acid;hydride has a molecular weight of 252.25 g/mol, XLogP of -2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-(4,5-dihydroimidazol-1-yloxycarbonyl)hexanoic acid;hydride is sourced from PubChem (CID 175172639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).