sodium 2-(3-methoxy-2-pyridinyl)pentanoate

C11H14NNaO3 — CID 86812313

IUPACsodium 2-(3-methoxy-2-pyridinyl)pentanoate
SMILESCCCC(C(=O)[O-])c1ncccc1OC.[Na+]
InChIInChI=1S/C11H15NO3.Na/c1-3-5-8(11(13)14)10-9(15-2)6-4-7-12-10;/h4,6-8H,3,5H2,1-2H3,(H,13,14);/q;+1/p-1
InChIKeyRFYGNPLAZIODPD-UHFFFAOYSA-M
MW231.23 g/mol
LogP-2.27
Rot. Bonds5

About sodium 2-(3-methoxy-2-pyridinyl)pentanoate

sodium 2-(3-methoxy-2-pyridinyl)pentanoate (PubChem CID 86812313) has the molecular formula C11H14NNaO3 and a molecular weight of 231.23 g/mol. Its IUPAC name is sodium 2-(3-methoxy-2-pyridinyl)pentanoate.

Molecular Properties

Compound Namesodium 2-(3-methoxy-2-pyridinyl)pentanoate
PubChem CID86812313
Molecular FormulaC11H14NNaO3
Molecular Weight231.23 g/mol
Exact Mass231.09
IUPAC Namesodium 2-(3-methoxy-2-pyridinyl)pentanoate
SMILESCCCC(C(=O)[O-])c1ncccc1OC.[Na+]
InChIInChI=1S/C11H15NO3.Na/c1-3-5-8(11(13)14)10-9(15-2)6-4-7-12-10;/h4,6-8H,3,5H2,1-2H3,(H,13,14);/q;+1/p-1
InChIKeyRFYGNPLAZIODPD-UHFFFAOYSA-M
XLogP-2.27
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-2.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze sodium 2-(3-methoxy-2-pyridinyl)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxy-2-pyridinyl)-4-methylpentanoic acid
CID 86811528
(2S)-2-(3-methoxy-2-pyridinyl)-4-methylpentanoic acid
CID 98041226
1-(3-methoxy-2-pyridinyl)pentan-1-amine
CID 55296724
sodium 3-methoxypyridine-2-carboxylate
CID 66803094
2-amino-2-(3-methoxy-2-pyridinyl)acetic acid
CID 55295273
2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 104572925
3-(4-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
CID 104572566
2-(diethoxymethyl)-3-methoxypyridine
CID 121221666
3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
CID 104572490
(2R)-2-amino-2-(3-methoxy-2-pyridinyl)ethanol
CID 96850177
2-(3-fluoro-2-pyridinyl)pentanoic acid
CID 104571993
2-(dichloromethyl)-3-methoxypyridine
CID 141354456

Frequently Asked Questions

What is the IUPAC name of sodium 2-(3-methoxy-2-pyridinyl)pentanoate?
The IUPAC name of sodium 2-(3-methoxy-2-pyridinyl)pentanoate (CID 86812313) is sodium 2-(3-methoxy-2-pyridinyl)pentanoate.
What is the SMILES notation for sodium 2-(3-methoxy-2-pyridinyl)pentanoate?
The canonical SMILES for sodium 2-(3-methoxy-2-pyridinyl)pentanoate is CCCC(C(=O)[O-])c1ncccc1OC.[Na+].
What is the InChIKey of sodium 2-(3-methoxy-2-pyridinyl)pentanoate?
The InChIKey is RFYGNPLAZIODPD-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15NO3.Na/c1-3-5-8(11(13)14)10-9(15-2)6-4-7-12-10;/h4,6-8H,3,5H2,1-2H3,(H,13,14);/q;+1/p-1.
What are the key properties of sodium 2-(3-methoxy-2-pyridinyl)pentanoate?
sodium 2-(3-methoxy-2-pyridinyl)pentanoate has a molecular weight of 231.23 g/mol, XLogP of -2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(3-methoxy-2-pyridinyl)pentanoate is sourced from PubChem (CID 86812313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).