2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic acid

C15H19NO3 — CID 76949889

IUPAC2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)C=Cc1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C15H19NO3/c1-4-16(15(2,3)14(18)19)13(17)11-10-12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyOZNVXCKKMRDBPE-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.41
Rot. Bonds5

About 2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic acid

2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic acid (PubChem CID 76949889) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic acid
PubChem CID76949889
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)C=Cc1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C15H19NO3/c1-4-16(15(2,3)14(18)19)13(17)11-10-12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyOZNVXCKKMRDBPE-UHFFFAOYSA-N
XLogP2.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic 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-[ethyl-[3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpropanoic acid
CID 76949869
2-[3-(3-chloro-4-methylphenyl)prop-2-enoyl-ethylamino]-2-methylpropanoic acid
CID 76949973
(E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide
CID 70155111
N,N-dihydroxy-3-phenylprop-2-enamide
CID 141104282
2-[ethyl-[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62820744
tert-butyl N-benzyl-N-(3-phenylprop-2-enoyl)carbamate
CID 170993459
N,N-diethyl-2-oxo-4-phenylbut-3-enamide
CID 57095227
2-[(2,6-difluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 55123816
(E)-N-acetyl-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273810
2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 62823161
N-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide
CID 165178394
(E)-N-(2,2-dimethylpropyl)-3-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 56531150

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic acid (CID 76949889) is 2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic acid is CCN(C(=O)C=Cc1ccccc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic acid?
The InChIKey is OZNVXCKKMRDBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-16(15(2,3)14(18)19)13(17)11-10-12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,18,19).
What are the key properties of 2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic acid?
2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 76949889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).