2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid

C13H18N2O4 — CID 66167337

IUPAC2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid
SMILESCc1cc(C)c(NC(=O)NCC(O)C(=O)O)c(C)c1
InChIInChI=1S/C13H18N2O4/c1-7-4-8(2)11(9(3)5-7)15-13(19)14-6-10(16)12(17)18/h4-5,10,16H,6H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyDZLDBOONJSAEIE-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.18
Rot. Bonds4

About 2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid

2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid (PubChem CID 66167337) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid
PubChem CID66167337
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid
SMILESCc1cc(C)c(NC(=O)NCC(O)C(=O)O)c(C)c1
InChIInChI=1S/C13H18N2O4/c1-7-4-8(2)11(9(3)5-7)15-13(19)14-6-10(16)12(17)18/h4-5,10,16H,6H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyDZLDBOONJSAEIE-UHFFFAOYSA-N
XLogP1.18
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid
CID 63112624
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea
CID 110890330
2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107586007
(2S)-3-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107838042
(2S)-3-[(2-bromo-5-methylphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107840754
3-[(3-bromo-4-methylphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167165
3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid
CID 66165173
(2S)-3-hydroxy-2-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid
CID 61181326
2,2-dimethyl-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid
CID 115428267
2-hydroxy-3-[(3-methyl-4-nitrophenyl)carbamoylamino]propanoic acid
CID 66165114
(2S)-2-hydroxy-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 107832946
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea
CID 111103394

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid (CID 66167337) is 2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid is Cc1cc(C)c(NC(=O)NCC(O)C(=O)O)c(C)c1.
What is the InChIKey of 2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid?
The InChIKey is DZLDBOONJSAEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-7-4-8(2)11(9(3)5-7)15-13(19)14-6-10(16)12(17)18/h4-5,10,16H,6H2,1-3H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid?
2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 66167337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).