2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid

C14H15N3O3 — CID 62697185

IUPAC2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESN#Cc1ccccc1NC(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C14H15N3O3/c15-7-10-3-1-2-4-11(10)17-12(18)8-16-13(14(19)20)9-5-6-9/h1-4,9,13,16H,5-6,8H2,(H,17,18)(H,19,20)
InChIKeyRDVRLNWBVXZENX-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.95
Rot. Bonds6

About 2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid

2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid (PubChem CID 62697185) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
PubChem CID62697185
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESN#Cc1ccccc1NC(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C14H15N3O3/c15-7-10-3-1-2-4-11(10)17-12(18)8-16-13(14(19)20)9-5-6-9/h1-4,9,13,16H,5-6,8H2,(H,17,18)(H,19,20)
InChIKeyRDVRLNWBVXZENX-UHFFFAOYSA-N
XLogP0.95
TPSA102.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695043
(2S)-2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]propanoic acid
CID 83194298
2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid
CID 62696962
N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392611
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
CID 62696180
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697159
2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695436
N-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086016
N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8922928
N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 1439761
methyl N-[2-(2-cyanoanilino)-2-oxoethyl]carbamate
CID 113001850

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid (CID 62697185) is 2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid is N#Cc1ccccc1NC(=O)CNC(C(=O)O)C1CC1.
What is the InChIKey of 2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The InChIKey is RDVRLNWBVXZENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-7-10-3-1-2-4-11(10)17-12(18)8-16-13(14(19)20)9-5-6-9/h1-4,9,13,16H,5-6,8H2,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid has a molecular weight of 273.29 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62697185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).