2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid

C11H15N3O4 — CID 66172431

IUPAC2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid
SMILESCC(O)(CNC(=O)NCc1ccncc1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-11(18,9(15)16)7-14-10(17)13-6-8-2-4-12-5-3-8/h2-5,18H,6-7H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyXYSYCYVTEAYJAD-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.28
Rot. Bonds5

About 2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid

2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid (PubChem CID 66172431) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid
PubChem CID66172431
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid
SMILESCC(O)(CNC(=O)NCc1ccncc1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-11(18,9(15)16)7-14-10(17)13-6-8-2-4-12-5-3-8/h2-5,18H,6-7H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyXYSYCYVTEAYJAD-UHFFFAOYSA-N
XLogP-0.28
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid
CID 104643853
3-[(4-chlorophenyl)methylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173045
(2S)-3,3-dimethyl-2-(pyridin-4-ylmethylcarbamoylamino)butanoic acid
CID 61194954
2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid
CID 79628858
2-methyl-5-(pyridin-4-ylmethylcarbamoylamino)pentanoic acid
CID 104686194
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61148496
3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
CID 66001214
1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea
CID 108909886
4-[[(3-hydroxy-2,2,3-trimethylbutyl)carbamoylamino]methyl]benzoic acid
CID 122016856
2-[(pyridin-4-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325097
1-[(4-methylphenyl)methyl]-3-[2-(pyridin-4-ylamino)ethyl]urea
CID 47051665

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid (CID 66172431) is 2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid is CC(O)(CNC(=O)NCc1ccncc1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid?
The InChIKey is XYSYCYVTEAYJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-11(18,9(15)16)7-14-10(17)13-6-8-2-4-12-5-3-8/h2-5,18H,6-7H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid?
2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.28, 5 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-(pyridin-4-ylmethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 66172431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).