ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate

C12H24N2O2 — CID 83049855

IUPACethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(C)C1CCNC1
InChIInChI=1S/C12H24N2O2/c1-4-6-11(12(15)16-5-2)14(3)10-7-8-13-9-10/h10-11,13H,4-9H2,1-3H3
InChIKeyDNULBOMQETUSDS-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds6

About ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate

ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate (PubChem CID 83049855) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate
PubChem CID83049855
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(C)C1CCNC1
InChIInChI=1S/C12H24N2O2/c1-4-6-11(12(15)16-5-2)14(3)10-7-8-13-9-10/h10-11,13H,4-9H2,1-3H3
InChIKeyDNULBOMQETUSDS-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[azepan-4-yl(methyl)amino]pentanoate
CID 107173439
2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid
CID 83049954
ethyl 2-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 63301878
ethyl 2-[(4-ethylcyclohexyl)-methylamino]pentanoate
CID 83041492
ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]pentanoate
CID 83040877
ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate
CID 83050233
2-[methyl(piperidin-3-yl)amino]butanamide
CID 63643022
ethyl 2-[methyl(morpholin-2-ylmethyl)amino]pentanoate
CID 83049651
2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol
CID 104556943
ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate
CID 60805526
methyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate
CID 79414659
(2R)-2-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylpentanamide
CID 119552995

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate?
The IUPAC name of ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate (CID 83049855) is ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate.
What is the SMILES notation for ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate?
The canonical SMILES for ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate is CCCC(C(=O)OCC)N(C)C1CCNC1.
What is the InChIKey of ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate?
The InChIKey is DNULBOMQETUSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-6-11(12(15)16-5-2)14(3)10-7-8-13-9-10/h10-11,13H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate?
ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate has a molecular weight of 228.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate is sourced from PubChem (CID 83049855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).