3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid

C16H23N3O5 — CID 122079913

IUPAC3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C16H23N3O5/c1-15(2,3)19-12(20)10-7-5-6-8-11(10)18-14(23)17-9-16(4,24)13(21)22/h5-8,24H,9H2,1-4H3,(H,19,20)(H,21,22)(H2,17,18,23)
InChIKeyZXQJORGKBNAXLT-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.17
Rot. Bonds5

About 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid

3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 122079913) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID122079913
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C16H23N3O5/c1-15(2,3)19-12(20)10-7-5-6-8-11(10)18-14(23)17-9-16(4,24)13(21)22/h5-8,24H,9H2,1-4H3,(H,19,20)(H,21,22)(H2,17,18,23)
InChIKeyZXQJORGKBNAXLT-UHFFFAOYSA-N
XLogP1.17
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173014
2-(4-aminobutanoylamino)-N-tert-butylbenzamide
CID 119280575
2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122076220
2-hydroxy-2-methyl-3-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoylamino]propanoic acid
CID 122086584
2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 79044257
3-[[2-(azepan-1-yl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122075300
2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide
CID 119280561
N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide
CID 5153514
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide
CID 119707303
3-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122076471
3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174920
2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid
CID 104643822

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid (CID 122079913) is 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid is CC(C)(C)NC(=O)c1ccccc1NC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is ZXQJORGKBNAXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-15(2,3)19-12(20)10-7-5-6-8-11(10)18-14(23)17-9-16(4,24)13(21)22/h5-8,24H,9H2,1-4H3,(H,19,20)(H,21,22)(H2,17,18,23).
What are the key properties of 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 337.38 g/mol, XLogP of 1.17, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 122079913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).