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

C11H15N3O4 — CID 79044257

IUPAC2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid
SMILESCc1ncccc1NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-7-8(4-3-5-12-7)14-10(17)13-6-11(2,18)9(15)16/h3-5,18H,6H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyWGQXVUROMQWQNI-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.35
Rot. Bonds4

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

2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid (PubChem CID 79044257) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid
PubChem CID79044257
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid
SMILESCc1ncccc1NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-7-8(4-3-5-12-7)14-10(17)13-6-11(2,18)9(15)16/h3-5,18H,6H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyWGQXVUROMQWQNI-UHFFFAOYSA-N
XLogP0.35
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid
CID 122076524
1-butyl-3-(2-methyl-3-pyridinyl)urea
CID 115667861
3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173014
3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079913
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide
CID 103930147
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
(2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 119844518
3-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122076471
3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122089989
3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122076836
3-[[2-(azepan-1-yl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122075300

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid (CID 79044257) is 2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid is Cc1ncccc1NC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid?
The InChIKey is WGQXVUROMQWQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7-8(4-3-5-12-7)14-10(17)13-6-11(2,18)9(15)16/h3-5,18H,6H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid?
2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid has a molecular weight of 253.26 g/mol, XLogP of 0.35, 4 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-methyl-3-pyridinyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 79044257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).