6-[[(3S)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid

C17H20N4O4 — CID 126427464

IUPAC6-[[(3S)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)Cn1nccc1[C@H]1CCCN(Cc2cccc(C(=O)O)n2)C1
InChIInChI=1S/C17H20N4O4/c22-16(23)11-21-15(6-7-18-21)12-3-2-8-20(9-12)10-13-4-1-5-14(19-13)17(24)25/h1,4-7,12H,2-3,8-11H2,(H,22,23)(H,24,25)/t12-/m0/s1
InChIKeyNVBBWPJXRVTESA-LBPRGKRZSA-N
MW344.37 g/mol
LogP1.44
Rot. Bonds6

About 6-[[(3S)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid

6-[[(3S)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 126427464) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-[[(3S)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(3S)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
PubChem CID126427464
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name6-[[(3S)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)Cn1nccc1[C@H]1CCCN(Cc2cccc(C(=O)O)n2)C1
InChIInChI=1S/C17H20N4O4/c22-16(23)11-21-15(6-7-18-21)12-3-2-8-20(9-12)10-13-4-1-5-14(19-13)17(24)25/h1,4-7,12H,2-3,8-11H2,(H,22,23)(H,24,25)/t12-/m0/s1
InChIKeyNVBBWPJXRVTESA-LBPRGKRZSA-N
XLogP1.44
TPSA108.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 119061142
2-[5-[(3R)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126447477
2-[5-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126446758
2-[5-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126424382
2-[5-[(3S)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126429526
2-[5-[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126444419
2-[5-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126432836
2-[5-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119070248
2-[5-[1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119061839
2-[5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119062506
2-[5-[(3S)-1-[(3-methoxy-2-pyridinyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126430435
6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903916

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(3S)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid (CID 126427464) is 6-[[(3S)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(3S)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(3S)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid is O=C(O)Cn1nccc1[C@H]1CCCN(Cc2cccc(C(=O)O)n2)C1.
What is the InChIKey of 6-[[(3S)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is NVBBWPJXRVTESA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4O4/c22-16(23)11-21-15(6-7-18-21)12-3-2-8-20(9-12)10-13-4-1-5-14(19-13)17(24)25/h1,4-7,12H,2-3,8-11H2,(H,22,23)(H,24,25)/t12-/m0/s1.
What are the key properties of 6-[[(3S)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
6-[[(3S)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 126427464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).