(3S)-3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid

C15H19N3O6 — CID 170161715

IUPAC(3S)-3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
SMILESCOC(=O)Cn1cc(NC(=O)[C@H]2CCCN(C(=O)O)C2)ccc1=O
InChIInChI=1S/C15H19N3O6/c1-24-13(20)9-18-8-11(4-5-12(18)19)16-14(21)10-3-2-6-17(7-10)15(22)23/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,21)(H,22,23)/t10-/m0/s1
InChIKeyMKQGZNPHJIUUFH-JTQLQIEISA-N
MW337.33 g/mol
LogP0.35
Rot. Bonds4

About (3S)-3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid

(3S)-3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid (PubChem CID 170161715) has the molecular formula C15H19N3O6 and a molecular weight of 337.33 g/mol. Its IUPAC name is (3S)-3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
PubChem CID170161715
Molecular FormulaC15H19N3O6
Molecular Weight337.33 g/mol
Exact Mass337.13
IUPAC Name(3S)-3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
SMILESCOC(=O)Cn1cc(NC(=O)[C@H]2CCCN(C(=O)O)C2)ccc1=O
InChIInChI=1S/C15H19N3O6/c1-24-13(20)9-18-8-11(4-5-12(18)19)16-14(21)10-3-2-6-17(7-10)15(22)23/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,21)(H,22,23)/t10-/m0/s1
InChIKeyMKQGZNPHJIUUFH-JTQLQIEISA-N
XLogP0.35
TPSA117.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The IUPAC name of (3S)-3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid (CID 170161715) is (3S)-3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid is COC(=O)Cn1cc(NC(=O)[C@H]2CCCN(C(=O)O)C2)ccc1=O.
What is the InChIKey of (3S)-3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The InChIKey is MKQGZNPHJIUUFH-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N3O6/c1-24-13(20)9-18-8-11(4-5-12(18)19)16-14(21)10-3-2-6-17(7-10)15(22)23/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,21)(H,22,23)/t10-/m0/s1.
What are the key properties of (3S)-3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
(3S)-3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid has a molecular weight of 337.33 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 170161715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).