2-[4-cyano-N-(2-hydroxyethyl)anilino]acetic acid

C11H12N2O3 — CID 139756178

IUPAC2-[4-cyano-N-(2-hydroxyethyl)anilino]acetic acid
SMILESN#Cc1ccc(N(CCO)CC(=O)O)cc1
InChIInChI=1S/C11H12N2O3/c12-7-9-1-3-10(4-2-9)13(5-6-14)8-11(15)16/h1-4,14H,5-6,8H2,(H,15,16)
InChIKeyMFUCHNFIWSGZFT-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.44
Rot. Bonds5

About 2-[4-cyano-N-(2-hydroxyethyl)anilino]acetic acid

2-[4-cyano-N-(2-hydroxyethyl)anilino]acetic acid (PubChem CID 139756178) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[4-cyano-N-(2-hydroxyethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-cyano-N-(2-hydroxyethyl)anilino]acetic acid
PubChem CID139756178
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-[4-cyano-N-(2-hydroxyethyl)anilino]acetic acid
SMILESN#Cc1ccc(N(CCO)CC(=O)O)cc1
InChIInChI=1S/C11H12N2O3/c12-7-9-1-3-10(4-2-9)13(5-6-14)8-11(15)16/h1-4,14H,5-6,8H2,(H,15,16)
InChIKeyMFUCHNFIWSGZFT-UHFFFAOYSA-N
XLogP0.44
TPSA84.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 10261613
2-[N-(4-cyanobutyl)anilino]acetic acid
CID 54925845
N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691467
2-[[(4-cyanophenyl)-methylcarbamoyl]-cyclopropylamino]acetic acid
CID 62982894
2-[carboxymethyl-[1-(4-cyanophenyl)ethyl]amino]acetic acid
CID 65065694
2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid
CID 61070339
ethyl 2-[4-cyano-N-[4-(dipropylamino)butyl]anilino]acetate
CID 143415653
2-(4-methyl-N-propylanilino)acetic acid
CID 19875097
3-[4-bromo-N-(carboxymethyl)anilino]propanoic acid
CID 82317034
N-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-cyanoacetamide
CID 168520060
2-[N-(2-fluoroethyl)anilino]acetic acid
CID 80695763
4-[amino(fluoro)amino]benzonitrile;oxalic acid
CID 175316282

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-N-(2-hydroxyethyl)anilino]acetic acid?
The IUPAC name of 2-[4-cyano-N-(2-hydroxyethyl)anilino]acetic acid (CID 139756178) is 2-[4-cyano-N-(2-hydroxyethyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-cyano-N-(2-hydroxyethyl)anilino]acetic acid?
The canonical SMILES for 2-[4-cyano-N-(2-hydroxyethyl)anilino]acetic acid is N#Cc1ccc(N(CCO)CC(=O)O)cc1.
What is the InChIKey of 2-[4-cyano-N-(2-hydroxyethyl)anilino]acetic acid?
The InChIKey is MFUCHNFIWSGZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c12-7-9-1-3-10(4-2-9)13(5-6-14)8-11(15)16/h1-4,14H,5-6,8H2,(H,15,16).
What are the key properties of 2-[4-cyano-N-(2-hydroxyethyl)anilino]acetic acid?
2-[4-cyano-N-(2-hydroxyethyl)anilino]acetic acid has a molecular weight of 220.23 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-N-(2-hydroxyethyl)anilino]acetic acid is sourced from PubChem (CID 139756178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).