2-[(4,5-dicyanonaphthalen-1-yl)amino]acetic acid

C14H9N3O2 — CID 71818201

IUPAC2-[(4,5-dicyanonaphthalen-1-yl)amino]acetic acid
SMILESN#Cc1cccc2c(NCC(=O)O)ccc(C#N)c12
InChIInChI=1S/C14H9N3O2/c15-6-9-2-1-3-11-12(17-8-13(18)19)5-4-10(7-16)14(9)11/h1-5,17H,8H2,(H,18,19)
InChIKeyUVHGWOKYLGSFTF-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.08
Rot. Bonds3

About 2-[(4,5-dicyanonaphthalen-1-yl)amino]acetic acid

2-[(4,5-dicyanonaphthalen-1-yl)amino]acetic acid (PubChem CID 71818201) has the molecular formula C14H9N3O2 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[(4,5-dicyanonaphthalen-1-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4,5-dicyanonaphthalen-1-yl)amino]acetic acid
PubChem CID71818201
Molecular FormulaC14H9N3O2
Molecular Weight251.24 g/mol
Exact Mass251.07
IUPAC Name2-[(4,5-dicyanonaphthalen-1-yl)amino]acetic acid
SMILESN#Cc1cccc2c(NCC(=O)O)ccc(C#N)c12
InChIInChI=1S/C14H9N3O2/c15-6-9-2-1-3-11-12(17-8-13(18)19)5-4-10(7-16)14(9)11/h1-5,17H,8H2,(H,18,19)
InChIKeyUVHGWOKYLGSFTF-UHFFFAOYSA-N
XLogP2.08
TPSA96.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4,5-dicyanonaphthalen-1-yl)amino]acetate
CID 71818203
2-(3-bromo-4-cyano-2-fluoroanilino)acetic acid
CID 107532791
2-(5-chloro-2-cyanoanilino)acetic acid
CID 63081728
N-(5-cyano-4-nitronaphthalen-1-yl)acetamide
CID 10264330
4-(3-hydroxypropylamino)naphthalene-1-carbonitrile
CID 11148845
2-(4-cyano-3-fluoroanilino)acetic acid
CID 127019892
2-[[2-(3-bromo-4-cyano-2-fluoroanilino)acetyl]amino]acetic acid
CID 107532788
4-(4,9-dicyanoperylen-3-yl)butanoic acid
CID 155195590
3-[(5-cyanoisoquinolin-1-yl)amino]propanoic acid
CID 82570969
2-[2-[(2-cyanoanilino)methyl]phenyl]acetic acid
CID 81317628
2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 108997912
2-(3-cyano-2-nitroanilino)-N,N-dimethylacetamide
CID 113444929

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dicyanonaphthalen-1-yl)amino]acetic acid?
The IUPAC name of 2-[(4,5-dicyanonaphthalen-1-yl)amino]acetic acid (CID 71818201) is 2-[(4,5-dicyanonaphthalen-1-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4,5-dicyanonaphthalen-1-yl)amino]acetic acid?
The canonical SMILES for 2-[(4,5-dicyanonaphthalen-1-yl)amino]acetic acid is N#Cc1cccc2c(NCC(=O)O)ccc(C#N)c12.
What is the InChIKey of 2-[(4,5-dicyanonaphthalen-1-yl)amino]acetic acid?
The InChIKey is UVHGWOKYLGSFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c15-6-9-2-1-3-11-12(17-8-13(18)19)5-4-10(7-16)14(9)11/h1-5,17H,8H2,(H,18,19).
What are the key properties of 2-[(4,5-dicyanonaphthalen-1-yl)amino]acetic acid?
2-[(4,5-dicyanonaphthalen-1-yl)amino]acetic acid has a molecular weight of 251.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dicyanonaphthalen-1-yl)amino]acetic acid is sourced from PubChem (CID 71818201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).