2-(4-cyano-N-methylanilino)propanoic acid

C11H12N2O2 — CID 62638661

IUPAC2-(4-cyano-N-methylanilino)propanoic acid
SMILESCC(C(=O)O)N(C)c1ccc(C#N)cc1
InChIInChI=1S/C11H12N2O2/c1-8(11(14)15)13(2)10-5-3-9(7-12)4-6-10/h3-6,8H,1-2H3,(H,14,15)
InChIKeyWLVCEVBFVAWXFZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.47
Rot. Bonds3

About 2-(4-cyano-N-methylanilino)propanoic acid

2-(4-cyano-N-methylanilino)propanoic acid (PubChem CID 62638661) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(4-cyano-N-methylanilino)propanoic acid.

Molecular Properties

Compound Name2-(4-cyano-N-methylanilino)propanoic acid
PubChem CID62638661
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(4-cyano-N-methylanilino)propanoic acid
SMILESCC(C(=O)O)N(C)c1ccc(C#N)cc1
InChIInChI=1S/C11H12N2O2/c1-8(11(14)15)13(2)10-5-3-9(7-12)4-6-10/h3-6,8H,1-2H3,(H,14,15)
InChIKeyWLVCEVBFVAWXFZ-UHFFFAOYSA-N
XLogP1.47
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide
CID 62983295
(2R)-2-(4-bromo-N-methylanilino)propanoic acid
CID 100519053
N-butan-2-yl-2-(4-cyano-N-methylanilino)propanamide
CID 55140413
2-amino-3-(4-cyano-N-methylanilino)propanoic acid
CID 65475959
(Z)-[N-(1-carboxyethyl)-4-cyanoanilino]-hydroxyimino-oxidoazanium
CID 135487453
4-[[(2S)-2-hydroxypropyl]-methylamino]benzonitrile
CID 106932815
(2S)-2-(4-cyanophenyl)propanoic acid
CID 70308713
3-[[(4-cyanophenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62983203
2-(4-ethylsulfanyl-N-methylanilino)propanoic acid
CID 117041875
2-(4-ethylsulfonyl-N-methylanilino)propanoic acid
CID 62637934
2-[(3-cyanobenzoyl)-methylamino]propanoic acid
CID 62626883
ethyl 2-(4-cyano-N-methylanilino)butanoate
CID 64660938

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-N-methylanilino)propanoic acid?
The IUPAC name of 2-(4-cyano-N-methylanilino)propanoic acid (CID 62638661) is 2-(4-cyano-N-methylanilino)propanoic acid.
What is the SMILES notation for 2-(4-cyano-N-methylanilino)propanoic acid?
The canonical SMILES for 2-(4-cyano-N-methylanilino)propanoic acid is CC(C(=O)O)N(C)c1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyano-N-methylanilino)propanoic acid?
The InChIKey is WLVCEVBFVAWXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8(11(14)15)13(2)10-5-3-9(7-12)4-6-10/h3-6,8H,1-2H3,(H,14,15).
What are the key properties of 2-(4-cyano-N-methylanilino)propanoic acid?
2-(4-cyano-N-methylanilino)propanoic acid has a molecular weight of 204.23 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-N-methylanilino)propanoic acid is sourced from PubChem (CID 62638661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).