2-hydroxy-2-methyl-3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid

C18H22N4O4 — CID 122091632

IUPAC2-hydroxy-2-methyl-3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid
SMILESCC(O)(CNC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1)C(=O)O
InChIInChI=1S/C18H22N4O4/c1-18(26,16(23)24)11-20-17(25)21-13-6-4-5-12(9-13)15-19-10-14-7-2-3-8-22(14)15/h4-6,9-10,26H,2-3,7-8,11H2,1H3,(H,23,24)(H2,20,21,25)
InChIKeyYFZZUJXRODEYRH-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.84
Rot. Bonds5

About 2-hydroxy-2-methyl-3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid

2-hydroxy-2-methyl-3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid (PubChem CID 122091632) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid
PubChem CID122091632
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name2-hydroxy-2-methyl-3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid
SMILESCC(O)(CNC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1)C(=O)O
InChIInChI=1S/C18H22N4O4/c1-18(26,16(23)24)11-20-17(25)21-13-6-4-5-12(9-13)15-19-10-14-7-2-3-8-22(14)15/h4-6,9-10,26H,2-3,7-8,11H2,1H3,(H,23,24)(H2,20,21,25)
InChIKeyYFZZUJXRODEYRH-UHFFFAOYSA-N
XLogP1.84
TPSA116.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid
CID 122091625
4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid
CID 122091628
5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 167973003
3-[(3-ethynylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173240
2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 75392897
2-methyl-3-(methylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 119858470
3-[[2-(azepan-1-yl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122075300
1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3-phenylpropyl)urea
CID 90557029
2-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide
CID 112833184
3-amino-2-methyl-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide;dihydrochloride
CID 119858447
3-bromo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833016
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 34855811

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid (CID 122091632) is 2-hydroxy-2-methyl-3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid is CC(O)(CNC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid?
The InChIKey is YFZZUJXRODEYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-18(26,16(23)24)11-20-17(25)21-13-6-4-5-12(9-13)15-19-10-14-7-2-3-8-22(14)15/h4-6,9-10,26H,2-3,7-8,11H2,1H3,(H,23,24)(H2,20,21,25).
What are the key properties of 2-hydroxy-2-methyl-3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid?
2-hydroxy-2-methyl-3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid has a molecular weight of 358.40 g/mol, XLogP of 1.84, 5 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-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 122091632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).