3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid

C9H17NO3 — CID 103224568

IUPAC3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid
SMILESCOCC(C(=O)O)N1CCC(C)C1
InChIInChI=1S/C9H17NO3/c1-7-3-4-10(5-7)8(6-13-2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyJOQLJYUJECXUHH-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.43
Rot. Bonds4

About 3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid

3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid (PubChem CID 103224568) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid
PubChem CID103224568
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid
SMILESCOCC(C(=O)O)N1CCC(C)C1
InChIInChI=1S/C9H17NO3/c1-7-3-4-10(5-7)8(6-13-2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyJOQLJYUJECXUHH-UHFFFAOYSA-N
XLogP0.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid
CID 64693345
3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid
CID 103224529
(2R)-3-methoxy-2-(4-methyl-3,4,5,6-tetrahydro-2H-pyridin-5-ylium-1-yl)propanoic acid
CID 158879294
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropanoic acid
CID 103224901
2-(2,6-dimethylmorpholin-4-yl)-3-methoxypropanoic acid
CID 103224473
2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid
CID 103224616
2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid
CID 103224650
3-methoxy-2-(4-methylpiperidin-1-yl)propanehydrazide
CID 103229441
2-(3-methylpiperidin-1-yl)butanoic acid
CID 43235109
2-(4-methylpiperidin-1-yl)pentanoic acid
CID 43866458
3-methoxy-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid
CID 103224633
2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid
CID 81082367

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid (CID 103224568) is 3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid is COCC(C(=O)O)N1CCC(C)C1.
What is the InChIKey of 3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid?
The InChIKey is JOQLJYUJECXUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7-3-4-10(5-7)8(6-13-2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid?
3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 103224568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).