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

C10H20N2O2 — CID 63299827

IUPACmethyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate
SMILESCCN(C1CCNC1)C(C)C(=O)OC
InChIInChI=1S/C10H20N2O2/c1-4-12(8(2)10(13)14-3)9-5-6-11-7-9/h8-9,11H,4-7H2,1-3H3
InChIKeyWGHRUNNVJSWUKL-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds4

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

methyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate (PubChem CID 63299827) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate
PubChem CID63299827
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate
SMILESCCN(C1CCNC1)C(C)C(=O)OC
InChIInChI=1S/C10H20N2O2/c1-4-12(8(2)10(13)14-3)9-5-6-11-7-9/h8-9,11H,4-7H2,1-3H3
InChIKeyWGHRUNNVJSWUKL-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(piperidin-3-yl)amino]-N-propan-2-ylpropanamide
CID 63636253
ethyl 2-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 63301878
methyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate
CID 79414659
N-tert-butyl-2-[ethyl(piperidin-3-yl)amino]propanamide
CID 55244726
methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate
CID 63300934
2-[ethyl(piperidin-3-yl)amino]-N-pentylpropanamide
CID 63638698
N-butan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]propanamide
CID 63304037
ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate
CID 60805526
N-tert-butyl-2-[propyl(pyrrolidin-3-yl)amino]propanamide
CID 63304566
N-ethyl-N-nonan-2-ylpyrrolidin-3-amine
CID 63299683
ethyl 2-(pyrrolidin-3-ylamino)propanoate
CID 79741945
ethyl 2-[ethyl(pyrrolidin-3-yl)amino]acetate
CID 63300317

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate?
The IUPAC name of methyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate (CID 63299827) is methyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate?
The canonical SMILES for methyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate is CCN(C1CCNC1)C(C)C(=O)OC.
What is the InChIKey of methyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate?
The InChIKey is WGHRUNNVJSWUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-12(8(2)10(13)14-3)9-5-6-11-7-9/h8-9,11H,4-7H2,1-3H3.
What are the key properties of methyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate?
methyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate has a molecular weight of 200.28 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate is sourced from PubChem (CID 63299827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).