3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid

C14H20N2O5 — CID 122076836

IUPAC3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCCOc1cc(C)ccc1NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-4-21-11-7-9(2)5-6-10(11)16-13(19)15-8-14(3,20)12(17)18/h5-7,20H,4,8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyKSWWMYWSRIKPSZ-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.35
Rot. Bonds6

About 3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid

3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 122076836) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID122076836
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCCOc1cc(C)ccc1NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-4-21-11-7-9(2)5-6-10(11)16-13(19)15-8-14(3,20)12(17)18/h5-7,20H,4,8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyKSWWMYWSRIKPSZ-UHFFFAOYSA-N
XLogP1.35
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-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-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid
CID 122076852
3-[(2-ethoxy-5-methyl-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122094505
1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea
CID 47261966
2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide
CID 76888007
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea
CID 111336863
3-[(4-butoxy-2-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077403
1-(2-ethyl-2-hydroxybutyl)-3-(2-methoxy-4-methylphenyl)urea
CID 111103660
3-(2-ethoxy-4-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896946
(2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide
CID 79013044
3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754678
4-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoylamino]butanoic acid
CID 122076970

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (CID 122076836) is 3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is CCOc1cc(C)ccc1NC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is KSWWMYWSRIKPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-4-21-11-7-9(2)5-6-10(11)16-13(19)15-8-14(3,20)12(17)18/h5-7,20H,4,8H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.35, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 122076836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).