2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid

C12H23NO3 — CID 65063547

IUPAC2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid
SMILESCCC(COC)N1CCCCC1CC(=O)O
InChIInChI=1S/C12H23NO3/c1-3-10(9-16-2)13-7-5-4-6-11(13)8-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyNQJFCUIWTMYCJG-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.74
Rot. Bonds6

About 2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid

2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid (PubChem CID 65063547) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid
PubChem CID65063547
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid
SMILESCCC(COC)N1CCCCC1CC(=O)O
InChIInChI=1S/C12H23NO3/c1-3-10(9-16-2)13-7-5-4-6-11(13)8-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyNQJFCUIWTMYCJG-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid
CID 103466206
1-(1-methoxybutan-2-yl)pyrrolidine-2-carboxylic acid
CID 65056161
2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid
CID 62900440
2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid
CID 61010725
2-(1-butanoylpiperidin-2-yl)acetic acid
CID 61010375
2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid
CID 106991388
3-methoxy-N-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine
CID 103227164
2-[1-[2-(2-methoxyethylsulfanyl)acetyl]piperidin-2-yl]acetic acid
CID 54899945
N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103227231
2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid
CID 65068370
1-(1-methoxybutan-2-yl)pyrrolidine-3-carboxylic acid
CID 65066414
2-[1-[1-(4-ethoxyphenyl)ethyl]piperidin-2-yl]acetic acid
CID 65062930

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid (CID 65063547) is 2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid is CCC(COC)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid?
The InChIKey is NQJFCUIWTMYCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-10(9-16-2)13-7-5-4-6-11(13)8-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid?
2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid has a molecular weight of 229.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 65063547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).