2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid

C15H22N2O5 — CID 122076852

IUPAC2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid
SMILESCCCOc1cc(C)ccc1NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C15H22N2O5/c1-4-7-22-12-8-10(2)5-6-11(12)17-14(20)16-9-15(3,21)13(18)19/h5-6,8,21H,4,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyQVYUSLNHBSATEF-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.74
Rot. Bonds7

About 2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid

2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid (PubChem CID 122076852) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid
PubChem CID122076852
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid
SMILESCCCOc1cc(C)ccc1NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C15H22N2O5/c1-4-7-22-12-8-10(2)5-6-11(12)17-14(20)16-9-15(3,21)13(18)19/h5-6,8,21H,4,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyQVYUSLNHBSATEF-UHFFFAOYSA-N
XLogP1.74
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic 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

3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122076836
1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea
CID 47262023
3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077131
3-[(4-butoxy-2-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077403
1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea
CID 55925113
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
6-(4-methyl-2-propoxyanilino)-6-oxohexanoic acid
CID 60934555
2-(tert-butylamino)-N-(4-methyl-2-propoxyphenyl)acetamide
CID 78923766
2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid
CID 66174903
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
phenyl N-(4-methyl-2-propoxyphenyl)carbamate
CID 61216988
1-(2-ethyl-2-hydroxybutyl)-3-(2-methoxy-4-methylphenyl)urea
CID 111103660

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid (CID 122076852) is 2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid is CCCOc1cc(C)ccc1NC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid?
The InChIKey is QVYUSLNHBSATEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-4-7-22-12-8-10(2)5-6-11(12)17-14(20)16-9-15(3,21)13(18)19/h5-6,8,21H,4,7,9H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid?
2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid has a molecular weight of 310.35 g/mol, XLogP of 1.74, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 122076852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).