azane;3,4-bis(carboxymethyl)hexanedioic acid

C10H17NO8 — CID 155142229

IUPACazane;3,4-bis(carboxymethyl)hexanedioic acid
SMILESN.O=C(O)CC(CC(=O)O)C(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H14O8.H3N/c11-7(12)1-5(2-8(13)14)6(3-9(15)16)4-10(17)18;/h5-6H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);1H3
InChIKeyPFYDSRHRSSQVQU-UHFFFAOYSA-N
MW279.25 g/mol
LogP0.28
Rot. Bonds9

About azane;3,4-bis(carboxymethyl)hexanedioic acid

azane;3,4-bis(carboxymethyl)hexanedioic acid (PubChem CID 155142229) has the molecular formula C10H17NO8 and a molecular weight of 279.25 g/mol. Its IUPAC name is azane;3,4-bis(carboxymethyl)hexanedioic acid.

Molecular Properties

Compound Nameazane;3,4-bis(carboxymethyl)hexanedioic acid
PubChem CID155142229
Molecular FormulaC10H17NO8
Molecular Weight279.25 g/mol
Exact Mass279.10
IUPAC Nameazane;3,4-bis(carboxymethyl)hexanedioic acid
SMILESN.O=C(O)CC(CC(=O)O)C(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H14O8.H3N/c11-7(12)1-5(2-8(13)14)6(3-9(15)16)4-10(17)18;/h5-6H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);1H3
InChIKeyPFYDSRHRSSQVQU-UHFFFAOYSA-N
XLogP0.28
TPSA184.20 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 50.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-bis(carboxymethyl)heptanedioic acid
CID 139673912
3,4-bis(chloromethyl)hexanedioic acid
CID 538332
3-(dihydroxymethyl)pentanoic acid
CID 87108659
butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen
CID 173003473
3,3-diphosphorosopropanoic acid
CID 20734029
azane;bismuthane;2-hydroxybutanedioic acid
CID 173447177
3-methylbutanoic acid
CID 20849036
(3S)-3-propan-2-ylhexanedioic acid
CID 71391350
5-fluoro-4-(fluoromethyl)-3-(2-oxoethyl)pentanoic acid
CID 174514863
azane;3-cyanopentanedioic acid
CID 175179409
3-amino-5-ethyl-4-methylheptanoic acid
CID 11735605
3,4-bis(8-chlorooctyl)hexanedioic acid
CID 89262302

Frequently Asked Questions

What is the IUPAC name of azane;3,4-bis(carboxymethyl)hexanedioic acid?
The IUPAC name of azane;3,4-bis(carboxymethyl)hexanedioic acid (CID 155142229) is azane;3,4-bis(carboxymethyl)hexanedioic acid.
What is the SMILES notation for azane;3,4-bis(carboxymethyl)hexanedioic acid?
The canonical SMILES for azane;3,4-bis(carboxymethyl)hexanedioic acid is N.O=C(O)CC(CC(=O)O)C(CC(=O)O)CC(=O)O.
What is the InChIKey of azane;3,4-bis(carboxymethyl)hexanedioic acid?
The InChIKey is PFYDSRHRSSQVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O8.H3N/c11-7(12)1-5(2-8(13)14)6(3-9(15)16)4-10(17)18;/h5-6H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);1H3.
What are the key properties of azane;3,4-bis(carboxymethyl)hexanedioic acid?
azane;3,4-bis(carboxymethyl)hexanedioic acid has a molecular weight of 279.25 g/mol, XLogP of 0.28, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3,4-bis(carboxymethyl)hexanedioic acid is sourced from PubChem (CID 155142229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).