(3R)-8-[(4-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C16H23N3O3 — CID 95873944

IUPAC(3R)-8-[(4-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCOc1ccnc(CN2CCC3(CC2)CN[C@@H](C(=O)O)C3)c1
InChIInChI=1S/C16H23N3O3/c1-22-13-2-5-17-12(8-13)10-19-6-3-16(4-7-19)9-14(15(20)21)18-11-16/h2,5,8,14,18H,3-4,6-7,9-11H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyVABLKDFBFZHDBX-CQSZACIVSA-N
MW305.38 g/mol
LogP1.12
Rot. Bonds4

About (3R)-8-[(4-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-8-[(4-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95873944) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3R)-8-[(4-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-8-[(4-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID95873944
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(3R)-8-[(4-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCOc1ccnc(CN2CCC3(CC2)CN[C@@H](C(=O)O)C3)c1
InChIInChI=1S/C16H23N3O3/c1-22-13-2-5-17-12(8-13)10-19-6-3-16(4-7-19)9-14(15(20)21)18-11-16/h2,5,8,14,18H,3-4,6-7,9-11H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyVABLKDFBFZHDBX-CQSZACIVSA-N
XLogP1.12
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-[(4-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R)-8-[(4-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95873944) is (3R)-8-[(4-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R)-8-[(4-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R)-8-[(4-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is COc1ccnc(CN2CCC3(CC2)CN[C@@H](C(=O)O)C3)c1.
What is the InChIKey of (3R)-8-[(4-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is VABLKDFBFZHDBX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-22-13-2-5-17-12(8-13)10-19-6-3-16(4-7-19)9-14(15(20)21)18-11-16/h2,5,8,14,18H,3-4,6-7,9-11H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (3R)-8-[(4-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3R)-8-[(4-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-[(4-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95873944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).