2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid

C12H17N3O3 — CID 120525619

IUPAC2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
SMILESCC(CNC(=O)c1cnn2c1CCCC2)C(=O)O
InChIInChI=1S/C12H17N3O3/c1-8(12(17)18)6-13-11(16)9-7-14-15-5-3-2-4-10(9)15/h7-8H,2-6H2,1H3,(H,13,16)(H,17,18)
InChIKeyIYZFTPAWUAHDTP-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.67
Rot. Bonds4

About 2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid

2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid (PubChem CID 120525619) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
PubChem CID120525619
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
SMILESCC(CNC(=O)c1cnn2c1CCCC2)C(=O)O
InChIInChI=1S/C12H17N3O3/c1-8(12(17)18)6-13-11(16)9-7-14-15-5-3-2-4-10(9)15/h7-8H,2-6H2,1H3,(H,13,16)(H,17,18)
InChIKeyIYZFTPAWUAHDTP-UHFFFAOYSA-N
XLogP0.67
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid
CID 120535565
N-[(5-methylpyrazin-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 56893899
4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid
CID 120512943
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid
CID 120530814
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 120512689
2-[butan-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid
CID 120529830
methyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 75520661
3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)butanoic acid
CID 83883806
2-(4-bromophenyl)-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)acetic acid
CID 120518139
N-(5-propan-2-yl-3-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 136567129
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 56913786
N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 124572390

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid (CID 120525619) is 2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid is CC(CNC(=O)c1cnn2c1CCCC2)C(=O)O.
What is the InChIKey of 2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid?
The InChIKey is IYZFTPAWUAHDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(12(17)18)6-13-11(16)9-7-14-15-5-3-2-4-10(9)15/h7-8H,2-6H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid?
2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid has a molecular weight of 251.29 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid is sourced from PubChem (CID 120525619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).