4-(acetyloxymethyl)-1-ethylpyrrolidine-2-carboxylic acid

C10H17NO4 — CID 141022460

IUPAC4-(acetyloxymethyl)-1-ethylpyrrolidine-2-carboxylic acid
SMILESCCN1CC(COC(C)=O)CC1C(=O)O
InChIInChI=1S/C10H17NO4/c1-3-11-5-8(6-15-7(2)12)4-9(11)10(13)14/h8-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyXFRXUAZKZGTPKT-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.34
Rot. Bonds4

About 4-(acetyloxymethyl)-1-ethylpyrrolidine-2-carboxylic acid

4-(acetyloxymethyl)-1-ethylpyrrolidine-2-carboxylic acid (PubChem CID 141022460) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(acetyloxymethyl)-1-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(acetyloxymethyl)-1-ethylpyrrolidine-2-carboxylic acid
PubChem CID141022460
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-(acetyloxymethyl)-1-ethylpyrrolidine-2-carboxylic acid
SMILESCCN1CC(COC(C)=O)CC1C(=O)O
InChIInChI=1S/C10H17NO4/c1-3-11-5-8(6-15-7(2)12)4-9(11)10(13)14/h8-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyXFRXUAZKZGTPKT-UHFFFAOYSA-N
XLogP0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1,4-diethylpyrrolidine-2-carboxylate
CID 91166358
cyclopropylmethyl acetate
CID 538333
(2S,4S)-4-(methoxymethyl)-1-methylpyrrolidine-2-carboxylic acid
CID 121230981
1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431248
azetidin-3-ylmethyl acetate
CID 66592470
[(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate
CID 121494090
4-(3,3-difluoropropyl)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid
CID 21076020
4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 143148082
1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351458
ethane;1-[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]ethanone
CID 176567903
(3-carbamoylcyclopentyl)methyl acetate
CID 517718
ethane;(4-methylcyclohexyl)methyl acetate
CID 144507702

Frequently Asked Questions

What is the IUPAC name of 4-(acetyloxymethyl)-1-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-(acetyloxymethyl)-1-ethylpyrrolidine-2-carboxylic acid (CID 141022460) is 4-(acetyloxymethyl)-1-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-(acetyloxymethyl)-1-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-(acetyloxymethyl)-1-ethylpyrrolidine-2-carboxylic acid is CCN1CC(COC(C)=O)CC1C(=O)O.
What is the InChIKey of 4-(acetyloxymethyl)-1-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is XFRXUAZKZGTPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-11-5-8(6-15-7(2)12)4-9(11)10(13)14/h8-9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-(acetyloxymethyl)-1-ethylpyrrolidine-2-carboxylic acid?
4-(acetyloxymethyl)-1-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetyloxymethyl)-1-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 141022460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).