[2-[(1-methylpyrrolidin-3-yl)-propylamino]-2-oxoethyl] acetate

C12H22N2O3 — CID 143375003

IUPAC[2-[(1-methylpyrrolidin-3-yl)-propylamino]-2-oxoethyl] acetate
SMILESCCCN(C(=O)COC(C)=O)C1CCN(C)C1
InChIInChI=1S/C12H22N2O3/c1-4-6-14(11-5-7-13(3)8-11)12(16)9-17-10(2)15/h11H,4-9H2,1-3H3
InChIKeyIRLKZYVYQKZMRG-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.49
Rot. Bonds5

About [2-[(1-methylpyrrolidin-3-yl)-propylamino]-2-oxoethyl] acetate

[2-[(1-methylpyrrolidin-3-yl)-propylamino]-2-oxoethyl] acetate (PubChem CID 143375003) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is [2-[(1-methylpyrrolidin-3-yl)-propylamino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[(1-methylpyrrolidin-3-yl)-propylamino]-2-oxoethyl] acetate
PubChem CID143375003
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name[2-[(1-methylpyrrolidin-3-yl)-propylamino]-2-oxoethyl] acetate
SMILESCCCN(C(=O)COC(C)=O)C1CCN(C)C1
InChIInChI=1S/C12H22N2O3/c1-4-6-14(11-5-7-13(3)8-11)12(16)9-17-10(2)15/h11H,4-9H2,1-3H3
InChIKeyIRLKZYVYQKZMRG-UHFFFAOYSA-N
XLogP0.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-ethyl-N-(1-methylpyrrolidin-3-yl)acetamide
CID 143734601
2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 66565746
2-[(1-methylpyrrolidin-3-yl)-propylamino]acetic acid
CID 65065282
(2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 66565875
ethane;2-hydroxyethyl N-ethyl-N-(1-methylpyrrolidin-3-yl)carbamate
CID 143973901
2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide
CID 66565800
N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide
CID 95586858
N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950158
1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one
CID 162750810
ethyl 1-methylpyrrolidine-3-carboxylate
CID 21202735
tert-butyl 3-[(2-chloroacetyl)-propylamino]pyrrolidine-1-carboxylate
CID 138837244
ethyl 3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
CID 62546082

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpyrrolidin-3-yl)-propylamino]-2-oxoethyl] acetate?
The IUPAC name of [2-[(1-methylpyrrolidin-3-yl)-propylamino]-2-oxoethyl] acetate (CID 143375003) is [2-[(1-methylpyrrolidin-3-yl)-propylamino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[(1-methylpyrrolidin-3-yl)-propylamino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[(1-methylpyrrolidin-3-yl)-propylamino]-2-oxoethyl] acetate is CCCN(C(=O)COC(C)=O)C1CCN(C)C1.
What is the InChIKey of [2-[(1-methylpyrrolidin-3-yl)-propylamino]-2-oxoethyl] acetate?
The InChIKey is IRLKZYVYQKZMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-6-14(11-5-7-13(3)8-11)12(16)9-17-10(2)15/h11H,4-9H2,1-3H3.
What are the key properties of [2-[(1-methylpyrrolidin-3-yl)-propylamino]-2-oxoethyl] acetate?
[2-[(1-methylpyrrolidin-3-yl)-propylamino]-2-oxoethyl] acetate has a molecular weight of 242.32 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylpyrrolidin-3-yl)-propylamino]-2-oxoethyl] acetate is sourced from PubChem (CID 143375003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).