2-[3-[(5-ethoxy-2-pyridinyl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid

C20H30N2O3 — CID 155956947

IUPAC2-[3-[(5-ethoxy-2-pyridinyl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
SMILESCCOc1ccc(CN2CCC3(CCC(CC(=O)O)CC3)CC2)nc1
InChIInChI=1S/C20H30N2O3/c1-2-25-18-4-3-17(21-14-18)15-22-11-9-20(10-12-22)7-5-16(6-8-20)13-19(23)24/h3-4,14,16H,2,5-13,15H2,1H3,(H,23,24)
InChIKeyYXQZGLJUIVPIRD-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.73
Rot. Bonds6

About 2-[3-[(5-ethoxy-2-pyridinyl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid

2-[3-[(5-ethoxy-2-pyridinyl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid (PubChem CID 155956947) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[3-[(5-ethoxy-2-pyridinyl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(5-ethoxy-2-pyridinyl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
PubChem CID155956947
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-[3-[(5-ethoxy-2-pyridinyl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
SMILESCCOc1ccc(CN2CCC3(CCC(CC(=O)O)CC3)CC2)nc1
InChIInChI=1S/C20H30N2O3/c1-2-25-18-4-3-17(21-14-18)15-22-11-9-20(10-12-22)7-5-16(6-8-20)13-19(23)24/h3-4,14,16H,2,5-13,15H2,1H3,(H,23,24)
InChIKeyYXQZGLJUIVPIRD-UHFFFAOYSA-N
XLogP3.73
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1,3-thiazol-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 167991947
N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide
CID 97451304
2-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 167871394
2-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]acetic acid
CID 79605634
2-[3-[(2-methylpropan-2-yl)oxymethyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 90738914
2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 28701059
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[3-[(5-chloro-2-pyridinyl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetamide
CID 177337494
2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 82868707
3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid
CID 81320286
2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid
CID 64617332
3-[4-[(5-ethoxy-2-pyridinyl)methyl]piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
CID 75474285
6-[(4-methylpiperidin-1-yl)methyl]pyridin-3-ol
CID 82974194

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-ethoxy-2-pyridinyl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid?
The IUPAC name of 2-[3-[(5-ethoxy-2-pyridinyl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid (CID 155956947) is 2-[3-[(5-ethoxy-2-pyridinyl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid.
What is the SMILES notation for 2-[3-[(5-ethoxy-2-pyridinyl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid?
The canonical SMILES for 2-[3-[(5-ethoxy-2-pyridinyl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid is CCOc1ccc(CN2CCC3(CCC(CC(=O)O)CC3)CC2)nc1.
What is the InChIKey of 2-[3-[(5-ethoxy-2-pyridinyl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid?
The InChIKey is YXQZGLJUIVPIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-2-25-18-4-3-17(21-14-18)15-22-11-9-20(10-12-22)7-5-16(6-8-20)13-19(23)24/h3-4,14,16H,2,5-13,15H2,1H3,(H,23,24).
What are the key properties of 2-[3-[(5-ethoxy-2-pyridinyl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid?
2-[3-[(5-ethoxy-2-pyridinyl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid has a molecular weight of 346.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-ethoxy-2-pyridinyl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid is sourced from PubChem (CID 155956947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).