3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid

C14H19ClN2O5 — CID 122077131

IUPAC3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCCCOc1ccc(NC(=O)NCC(C)(O)C(=O)O)cc1Cl
InChIInChI=1S/C14H19ClN2O5/c1-3-6-22-11-5-4-9(7-10(11)15)17-13(20)16-8-14(2,21)12(18)19/h4-5,7,21H,3,6,8H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyUYGOMESJTJYBKE-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.09
Rot. Bonds7

About 3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid

3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 122077131) has the molecular formula C14H19ClN2O5 and a molecular weight of 330.77 g/mol. Its IUPAC name is 3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID122077131
Molecular FormulaC14H19ClN2O5
Molecular Weight330.77 g/mol
Exact Mass330.10
IUPAC Name3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCCCOc1ccc(NC(=O)NCC(C)(O)C(=O)O)cc1Cl
InChIInChI=1S/C14H19ClN2O5/c1-3-6-22-11-5-4-9(7-10(11)15)17-13(20)16-8-14(2,21)12(18)19/h4-5,7,21H,3,6,8H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyUYGOMESJTJYBKE-UHFFFAOYSA-N
XLogP2.09
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[(3-chloro-4-propoxyphenyl)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

1-(3-chloro-4-propoxyphenyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111473934
2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid
CID 66174903
2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid
CID 122076852
2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
CID 61266597
3-[[4-chloro-3-(difluoromethoxy)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122089193
1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea
CID 47349978
3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide
CID 81489388
3-[(6-butoxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122090495
3-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 107576403
4-(3-chloro-4-propoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496736
3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177412
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (CID 122077131) is 3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is CCCOc1ccc(NC(=O)NCC(C)(O)C(=O)O)cc1Cl.
What is the InChIKey of 3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is UYGOMESJTJYBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O5/c1-3-6-22-11-5-4-9(7-10(11)15)17-13(20)16-8-14(2,21)12(18)19/h4-5,7,21H,3,6,8H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 330.77 g/mol, XLogP of 2.09, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 122077131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).