azane;2,5-dihydroxypentane-1,2,3-tricarboxylic acid;N,N-dimethylmethanamine

C11H24N2O8 — CID 174729893

IUPACazane;2,5-dihydroxypentane-1,2,3-tricarboxylic acid;N,N-dimethylmethanamine
SMILESCN(C)C.N.O=C(O)CC(O)(C(=O)O)C(CCO)C(=O)O
InChIInChI=1S/C8H12O8.C3H9N.H3N/c9-2-1-4(6(12)13)8(16,7(14)15)3-5(10)11;1-4(2)3;/h4,9,16H,1-3H2,(H,10,11)(H,12,13)(H,14,15);1-3H3;1H3
InChIKeyYJCSCJGPLUVXQT-UHFFFAOYSA-N
MW312.32 g/mol
LogP-1.30
Rot. Bonds7

About azane;2,5-dihydroxypentane-1,2,3-tricarboxylic acid;N,N-dimethylmethanamine

azane;2,5-dihydroxypentane-1,2,3-tricarboxylic acid;N,N-dimethylmethanamine (PubChem CID 174729893) has the molecular formula C11H24N2O8 and a molecular weight of 312.32 g/mol. Its IUPAC name is azane;2,5-dihydroxypentane-1,2,3-tricarboxylic acid;N,N-dimethylmethanamine.

Molecular Properties

Compound Nameazane;2,5-dihydroxypentane-1,2,3-tricarboxylic acid;N,N-dimethylmethanamine
PubChem CID174729893
Molecular FormulaC11H24N2O8
Molecular Weight312.32 g/mol
Exact Mass312.15
IUPAC Nameazane;2,5-dihydroxypentane-1,2,3-tricarboxylic acid;N,N-dimethylmethanamine
SMILESCN(C)C.N.O=C(O)CC(O)(C(=O)O)C(CCO)C(=O)O
InChIInChI=1S/C8H12O8.C3H9N.H3N/c9-2-1-4(6(12)13)8(16,7(14)15)3-5(10)11;1-4(2)3;/h4,9,16H,1-3H2,(H,10,11)(H,12,13)(H,14,15);1-3H3;1H3
InChIKeyYJCSCJGPLUVXQT-UHFFFAOYSA-N
XLogP-1.30
TPSA190.60 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.32
LogP ≤ 5-1.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydroxyhenicosane-1,2,3-tricarboxylic acid
CID 54574275
2-hydroxybutane-1,2,3-tricarboxylic acid
CID 160778826
dipotassium;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;hydride;hydrate
CID 173084487
2-hydroxy-4-(oxiran-2-yl)butane-1,2,3-tricarboxylic acid
CID 154020885
2-hydroxy-4-phenylbutane-1,2,3-tricarboxylic acid
CID 21197230
2-(1-acetyloxy-1-oxopentan-2-yl)-2-hydroxybutanedioic acid
CID 87874056
bis(2-[carbamimidoyl(methyl)amino]acetic acid);1,2-dihydroxypropane-1,2,3-tricarboxylic acid
CID 140506264
2,3-dibutyl-2-hydroxybutanedioic acid
CID 18463835
2-hydroxy-2,3-bis(4-methylpentyl)butanedioic acid
CID 22274740
1-ethoxy-2-hydroxypropane-1,2,3-tricarboxylic acid
CID 56606822
3-hydroxypentane-1,2,3-tricarboxylic acid
CID 19799958
2-hydroxy-2-(2-methoxy-2-oxoethyl)-3-tridecylbutanedioic acid
CID 171342773

Frequently Asked Questions

What is the IUPAC name of azane;2,5-dihydroxypentane-1,2,3-tricarboxylic acid;N,N-dimethylmethanamine?
The IUPAC name of azane;2,5-dihydroxypentane-1,2,3-tricarboxylic acid;N,N-dimethylmethanamine (CID 174729893) is azane;2,5-dihydroxypentane-1,2,3-tricarboxylic acid;N,N-dimethylmethanamine.
What is the SMILES notation for azane;2,5-dihydroxypentane-1,2,3-tricarboxylic acid;N,N-dimethylmethanamine?
The canonical SMILES for azane;2,5-dihydroxypentane-1,2,3-tricarboxylic acid;N,N-dimethylmethanamine is CN(C)C.N.O=C(O)CC(O)(C(=O)O)C(CCO)C(=O)O.
What is the InChIKey of azane;2,5-dihydroxypentane-1,2,3-tricarboxylic acid;N,N-dimethylmethanamine?
The InChIKey is YJCSCJGPLUVXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O8.C3H9N.H3N/c9-2-1-4(6(12)13)8(16,7(14)15)3-5(10)11;1-4(2)3;/h4,9,16H,1-3H2,(H,10,11)(H,12,13)(H,14,15);1-3H3;1H3.
What are the key properties of azane;2,5-dihydroxypentane-1,2,3-tricarboxylic acid;N,N-dimethylmethanamine?
azane;2,5-dihydroxypentane-1,2,3-tricarboxylic acid;N,N-dimethylmethanamine has a molecular weight of 312.32 g/mol, XLogP of -1.30, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,5-dihydroxypentane-1,2,3-tricarboxylic acid;N,N-dimethylmethanamine is sourced from PubChem (CID 174729893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).