2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid

C14H20N2O5 — CID 122076220

IUPAC2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
SMILESCC(C)Oc1ccccc1NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-9(2)21-11-7-5-4-6-10(11)16-13(19)15-8-14(3,20)12(17)18/h4-7,9,20H,8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeySRYVZFNDRZJUFJ-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.43
Rot. Bonds6

About 2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid

2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid (PubChem CID 122076220) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
PubChem CID122076220
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
SMILESCC(C)Oc1ccccc1NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-9(2)21-11-7-5-4-6-10(11)16-13(19)15-8-14(3,20)12(17)18/h4-7,9,20H,8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeySRYVZFNDRZJUFJ-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-2,2-dimethylbutyl)-3-(2-propan-2-yloxyphenyl)urea
CID 111473765
2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid
CID 122076524
4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 28511787
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea
CID 111473769
3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173014
3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122078377
2-hydroxy-2-methyl-3-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122085546
1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea
CID 47221937
1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea
CID 47221939
2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol
CID 39246107
1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 108988227
1-amino-3-(2-propan-2-yloxyphenyl)urea
CID 82283845

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid (CID 122076220) is 2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid is CC(C)Oc1ccccc1NC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid?
The InChIKey is SRYVZFNDRZJUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-9(2)21-11-7-5-4-6-10(11)16-13(19)15-8-14(3,20)12(17)18/h4-7,9,20H,8H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid?
2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.43, 6 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-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 122076220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).