ethane;1-ethyl-3-methylpyrrolidine;3-methoxypropanoic acid

C13H29NO3 — CID 169177238

IUPACethane;1-ethyl-3-methylpyrrolidine;3-methoxypropanoic acid
SMILESCC.CCN1CCC(C)C1.COCCC(=O)O
InChIInChI=1S/C7H15N.C4H8O3.C2H6/c1-3-8-5-4-7(2)6-8;1-7-3-2-4(5)6;1-2/h7H,3-6H2,1-2H3;2-3H2,1H3,(H,5,6);1-2H3
InChIKeyGDEAPRPQUHNEGP-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.48
Rot. Bonds4

About ethane;1-ethyl-3-methylpyrrolidine;3-methoxypropanoic acid

ethane;1-ethyl-3-methylpyrrolidine;3-methoxypropanoic acid (PubChem CID 169177238) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is ethane;1-ethyl-3-methylpyrrolidine;3-methoxypropanoic acid.

Molecular Properties

Compound Nameethane;1-ethyl-3-methylpyrrolidine;3-methoxypropanoic acid
PubChem CID169177238
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Nameethane;1-ethyl-3-methylpyrrolidine;3-methoxypropanoic acid
SMILESCC.CCN1CCC(C)C1.COCCC(=O)O
InChIInChI=1S/C7H15N.C4H8O3.C2H6/c1-3-8-5-4-7(2)6-8;1-7-3-2-4(5)6;1-2/h7H,3-6H2,1-2H3;2-3H2,1H3,(H,5,6);1-2H3
InChIKeyGDEAPRPQUHNEGP-UHFFFAOYSA-N
XLogP2.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-ethyl-3-methylpyrrolidine
CID 90936593
ethane;2-(3-methylpyrrolidin-1-yl)acetic acid
CID 143851762
3-methoxypropanoic acid;yttrium
CID 87432975
acetic acid;3-methyl-1-propylpyrrolidine
CID 175874786
ethane;1-ethyl-3-methylpiperidine
CID 91361629
2-(1-ethyl-3-methylpiperidin-4-yl)acetic acid
CID 22103348
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
ethane;1-ethyl-4-methylpiperidine
CID 143737046
ethane;1-ethyl-3-methylazepane
CID 142283412
1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea
CID 96542994
3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 79171517
4-[ethyl-[(1-ethylpyrrolidin-3-yl)methyl]amino]-4-oxobutanoic acid
CID 122560579

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-methylpyrrolidine;3-methoxypropanoic acid?
The IUPAC name of ethane;1-ethyl-3-methylpyrrolidine;3-methoxypropanoic acid (CID 169177238) is ethane;1-ethyl-3-methylpyrrolidine;3-methoxypropanoic acid.
What is the SMILES notation for ethane;1-ethyl-3-methylpyrrolidine;3-methoxypropanoic acid?
The canonical SMILES for ethane;1-ethyl-3-methylpyrrolidine;3-methoxypropanoic acid is CC.CCN1CCC(C)C1.COCCC(=O)O.
What is the InChIKey of ethane;1-ethyl-3-methylpyrrolidine;3-methoxypropanoic acid?
The InChIKey is GDEAPRPQUHNEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C4H8O3.C2H6/c1-3-8-5-4-7(2)6-8;1-7-3-2-4(5)6;1-2/h7H,3-6H2,1-2H3;2-3H2,1H3,(H,5,6);1-2H3.
What are the key properties of ethane;1-ethyl-3-methylpyrrolidine;3-methoxypropanoic acid?
ethane;1-ethyl-3-methylpyrrolidine;3-methoxypropanoic acid has a molecular weight of 247.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-methylpyrrolidine;3-methoxypropanoic acid is sourced from PubChem (CID 169177238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).