1-[[1-(carboxymethyl)-5-hydroxy-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid

C14H18N2O6 — CID 94959672

IUPAC1-[[1-(carboxymethyl)-5-hydroxy-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)Cn1cc(O)c(=O)cc1CN1CCC(C(=O)O)CC1
InChIInChI=1S/C14H18N2O6/c17-11-5-10(16(7-12(11)18)8-13(19)20)6-15-3-1-9(2-4-15)14(21)22/h5,7,9,18H,1-4,6,8H2,(H,19,20)(H,21,22)
InChIKeyKHXPCGHYUSVAOO-UHFFFAOYSA-N
MW310.31 g/mol
LogP-0.06
Rot. Bonds5

About 1-[[1-(carboxymethyl)-5-hydroxy-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid

1-[[1-(carboxymethyl)-5-hydroxy-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid (PubChem CID 94959672) has the molecular formula C14H18N2O6 and a molecular weight of 310.31 g/mol. Its IUPAC name is 1-[[1-(carboxymethyl)-5-hydroxy-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(carboxymethyl)-5-hydroxy-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid
PubChem CID94959672
Molecular FormulaC14H18N2O6
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Name1-[[1-(carboxymethyl)-5-hydroxy-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)Cn1cc(O)c(=O)cc1CN1CCC(C(=O)O)CC1
InChIInChI=1S/C14H18N2O6/c17-11-5-10(16(7-12(11)18)8-13(19)20)6-15-3-1-9(2-4-15)14(21)22/h5,7,9,18H,1-4,6,8H2,(H,19,20)(H,21,22)
InChIKeyKHXPCGHYUSVAOO-UHFFFAOYSA-N
XLogP-0.06
TPSA120.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(carboxymethyl)-5-hydroxy-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[1-(carboxymethyl)-5-hydroxy-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid (CID 94959672) is 1-[[1-(carboxymethyl)-5-hydroxy-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[1-(carboxymethyl)-5-hydroxy-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[1-(carboxymethyl)-5-hydroxy-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid is O=C(O)Cn1cc(O)c(=O)cc1CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[[1-(carboxymethyl)-5-hydroxy-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid?
The InChIKey is KHXPCGHYUSVAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6/c17-11-5-10(16(7-12(11)18)8-13(19)20)6-15-3-1-9(2-4-15)14(21)22/h5,7,9,18H,1-4,6,8H2,(H,19,20)(H,21,22).
What are the key properties of 1-[[1-(carboxymethyl)-5-hydroxy-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid?
1-[[1-(carboxymethyl)-5-hydroxy-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(carboxymethyl)-5-hydroxy-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 94959672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).