3-[1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]piperidin-2-yl]propanoic acid

C15H26N2O4 — CID 64597618

IUPAC3-[1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]piperidin-2-yl]propanoic acid
SMILESCOCC1CCN(C(=O)N2CCCCC2CCC(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-21-11-12-7-9-16(10-12)15(20)17-8-3-2-4-13(17)5-6-14(18)19/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyBYCXEAWIQWNYPK-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.79
Rot. Bonds5

About 3-[1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]piperidin-2-yl]propanoic acid

3-[1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]piperidin-2-yl]propanoic acid (PubChem CID 64597618) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-[1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]piperidin-2-yl]propanoic acid
PubChem CID64597618
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-[1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]piperidin-2-yl]propanoic acid
SMILESCOCC1CCN(C(=O)N2CCCCC2CCC(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-21-11-12-7-9-16(10-12)15(20)17-8-3-2-4-13(17)5-6-14(18)19/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyBYCXEAWIQWNYPK-UHFFFAOYSA-N
XLogP1.79
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 129370989
2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 83045912
4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 129359557
3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid
CID 103357315
3-[1-(2-ethoxyacetyl)piperidin-2-yl]propanoic acid
CID 62217281
(2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 106588061
3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid
CID 81088985
azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586477
3-[1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 82753199
2-[4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-yl]acetic acid
CID 106588033
3-[1-(2-methylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217465
3-[1-(3-amino-2-methylpropanoyl)piperidin-2-yl]propanoic acid
CID 62668947

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]piperidin-2-yl]propanoic acid (CID 64597618) is 3-[1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]piperidin-2-yl]propanoic acid is COCC1CCN(C(=O)N2CCCCC2CCC(=O)O)C1.
What is the InChIKey of 3-[1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]piperidin-2-yl]propanoic acid?
The InChIKey is BYCXEAWIQWNYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-21-11-12-7-9-16(10-12)15(20)17-8-3-2-4-13(17)5-6-14(18)19/h12-13H,2-11H2,1H3,(H,18,19).
What are the key properties of 3-[1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]piperidin-2-yl]propanoic acid?
3-[1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]piperidin-2-yl]propanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 64597618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).