4-[[3-[(2-ethoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid

C15H20N4O5 — CID 175928078

IUPAC4-[[3-[(2-ethoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid
SMILESCCOC(=O)C(=O)Nc1cccnc1NC1CCN(C(=O)O)CC1
InChIInChI=1S/C15H20N4O5/c1-2-24-14(21)13(20)18-11-4-3-7-16-12(11)17-10-5-8-19(9-6-10)15(22)23/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,16,17)(H,18,20)(H,22,23)
InChIKeyREZQDQCGFIVTCC-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.14
Rot. Bonds4

About 4-[[3-[(2-ethoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid

4-[[3-[(2-ethoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid (PubChem CID 175928078) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-[[3-[(2-ethoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-[(2-ethoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid
PubChem CID175928078
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Name4-[[3-[(2-ethoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid
SMILESCCOC(=O)C(=O)Nc1cccnc1NC1CCN(C(=O)O)CC1
InChIInChI=1S/C15H20N4O5/c1-2-24-14(21)13(20)18-11-4-3-7-16-12(11)17-10-5-8-19(9-6-10)15(22)23/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,16,17)(H,18,20)(H,22,23)
InChIKeyREZQDQCGFIVTCC-UHFFFAOYSA-N
XLogP1.14
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2-ethoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[3-[(2-ethoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid (CID 175928078) is 4-[[3-[(2-ethoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[3-[(2-ethoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[3-[(2-ethoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid is CCOC(=O)C(=O)Nc1cccnc1NC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[[3-[(2-ethoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid?
The InChIKey is REZQDQCGFIVTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-2-24-14(21)13(20)18-11-4-3-7-16-12(11)17-10-5-8-19(9-6-10)15(22)23/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,16,17)(H,18,20)(H,22,23).
What are the key properties of 4-[[3-[(2-ethoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid?
4-[[3-[(2-ethoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid has a molecular weight of 336.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-ethoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 175928078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).