azane;3-cyanopentanedioic acid

C6H10N2O4 — CID 175179409

IUPACazane;3-cyanopentanedioic acid
SMILESN.N#CC(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H7NO4.H3N/c7-3-4(1-5(8)9)2-6(10)11;/h4H,1-2H2,(H,8,9)(H,10,11);1H3
InChIKeyUXYOCJZOONSDKM-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.24
Rot. Bonds4

About azane;3-cyanopentanedioic acid

azane;3-cyanopentanedioic acid (PubChem CID 175179409) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is azane;3-cyanopentanedioic acid.

Molecular Properties

Compound Nameazane;3-cyanopentanedioic acid
PubChem CID175179409
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Nameazane;3-cyanopentanedioic acid
SMILESN.N#CC(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H7NO4.H3N/c7-3-4(1-5(8)9)2-6(10)11;/h4H,1-2H2,(H,8,9)(H,10,11);1H3
InChIKeyUXYOCJZOONSDKM-UHFFFAOYSA-N
XLogP0.24
TPSA133.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dicyanopropanoic acid
CID 22288491
(5R)-3-cyano-5,7-dimethyloctanoic acid
CID 23649086
3-cyano-4-phenylmethoxybutanoic acid
CID 90860615
dimethyl 3-cyanopentanedioate
CID 14911868
azane;3,4-bis(carboxymethyl)hexanedioic acid
CID 155142229
(2R,3S)-2-amino-3-cyanopentanedioic acid
CID 162885810
sodium;carbon dioxide;(3S)-3-cyano-5-methylhexanoic acid;bis(ethyl (3S)-3-cyano-5-methylhexanoate);chloride
CID 157198841
3-(1-cyanoethylsulfanyl)butanoic acid
CID 66137163
2-cyanobutanedioic acid;prop-1-ene
CID 87687886
potassium;4-cyano-3-hydroxybutanoic acid;hydride
CID 173046665
(3S)-4-cyano-3-hydroxy-4-methylpentanoic acid
CID 101418719
3-(4-cyanophenyl)-3-hydroxypropanoic acid
CID 89195276

Frequently Asked Questions

What is the IUPAC name of azane;3-cyanopentanedioic acid?
The IUPAC name of azane;3-cyanopentanedioic acid (CID 175179409) is azane;3-cyanopentanedioic acid.
What is the SMILES notation for azane;3-cyanopentanedioic acid?
The canonical SMILES for azane;3-cyanopentanedioic acid is N.N#CC(CC(=O)O)CC(=O)O.
What is the InChIKey of azane;3-cyanopentanedioic acid?
The InChIKey is UXYOCJZOONSDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4.H3N/c7-3-4(1-5(8)9)2-6(10)11;/h4H,1-2H2,(H,8,9)(H,10,11);1H3.
What are the key properties of azane;3-cyanopentanedioic acid?
azane;3-cyanopentanedioic acid has a molecular weight of 174.16 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-cyanopentanedioic acid is sourced from PubChem (CID 175179409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).