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

C13H19N3O5 — CID 122076524

IUPAC2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid
SMILESCC(C)Oc1ncccc1NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C13H19N3O5/c1-8(2)21-10-9(5-4-6-14-10)16-12(19)15-7-13(3,20)11(17)18/h4-6,8,20H,7H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyWHIIJWPASURDBU-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.83
Rot. Bonds6

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

2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid (PubChem CID 122076524) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid
PubChem CID122076524
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid
SMILESCC(C)Oc1ncccc1NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C13H19N3O5/c1-8(2)21-10-9(5-4-6-14-10)16-12(19)15-7-13(3,20)11(17)18/h4-6,8,20H,7H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyWHIIJWPASURDBU-UHFFFAOYSA-N
XLogP0.83
TPSA120.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122094832
2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122076220
2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 79044257
1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
CID 112831617
(2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379065
2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 61379626
3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122078377
4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid
CID 61379431
1-[[4-(ethoxymethyl)phenyl]methyl]-3-(2-propan-2-yloxy-3-pyridinyl)urea
CID 112836013
2-bromo-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 62855618
1-(3-cyclohexyloxypropyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
CID 112834635
2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)pentanamide
CID 61379490

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid (CID 122076524) is 2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid is CC(C)Oc1ncccc1NC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid?
The InChIKey is WHIIJWPASURDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-8(2)21-10-9(5-4-6-14-10)16-12(19)15-7-13(3,20)11(17)18/h4-6,8,20H,7H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid?
2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid has a molecular weight of 297.31 g/mol, XLogP of 0.83, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 122076524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).