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

C14H20N2O5 — CID 66174903

IUPAC2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid
SMILESCCCOc1ccc(NC(=O)NCC(C)(O)C(=O)O)cc1
InChIInChI=1S/C14H20N2O5/c1-3-8-21-11-6-4-10(5-7-11)16-13(19)15-9-14(2,20)12(17)18/h4-7,20H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyPFNRCHCMWAEHSS-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.43
Rot. Bonds7

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

2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid (PubChem CID 66174903) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid
PubChem CID66174903
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid
SMILESCCCOc1ccc(NC(=O)NCC(C)(O)C(=O)O)cc1
InChIInChI=1S/C14H20N2O5/c1-3-8-21-11-6-4-10(5-7-11)16-13(19)15-9-14(2,20)12(17)18/h4-7,20H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyPFNRCHCMWAEHSS-UHFFFAOYSA-N
XLogP1.43
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077131
3-[(6-butoxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122090495
1-ethyl-3-(4-propoxyphenyl)urea
CID 115881886
3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077710
3-[(4-butoxy-2-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077403
2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 66174047
1-(4-butoxyphenyl)-3-(3-hydroxy-4,4-dimethylpentyl)urea
CID 90523657
2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid
CID 122076852
1-(4-butoxyphenyl)-3-(3,3-dimethylbutan-2-yl)urea
CID 3856337
1-(4-butoxyphenyl)-3-methylurea
CID 127511148
(2S)-2-[(4-propoxyphenyl)carbamoylamino]propanoic acid
CID 55059835
4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid
CID 62329039

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid (CID 66174903) is 2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid is CCCOc1ccc(NC(=O)NCC(C)(O)C(=O)O)cc1.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid?
The InChIKey is PFNRCHCMWAEHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-3-8-21-11-6-4-10(5-7-11)16-13(19)15-9-14(2,20)12(17)18/h4-7,20H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid?
2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.43, 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-propoxyphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 66174903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).