ethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate

C11H20N2O3 — CID 79389205

IUPACethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)C1CCNC1C
InChIInChI=1S/C11H20N2O3/c1-3-16-10(14)5-7-13-11(15)9-4-6-12-8(9)2/h8-9,12H,3-7H2,1-2H3,(H,13,15)
InChIKeyXEVRVGNARCRAOJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.05
Rot. Bonds5

About ethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate

ethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate (PubChem CID 79389205) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate
PubChem CID79389205
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)C1CCNC1C
InChIInChI=1S/C11H20N2O3/c1-3-16-10(14)5-7-13-11(15)9-4-6-12-8(9)2/h8-9,12H,3-7H2,1-2H3,(H,13,15)
InChIKeyXEVRVGNARCRAOJ-UHFFFAOYSA-N
XLogP0.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate
CID 106739889
ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
CID 103794893
ethyl (2S,3S)-2-methylpyrrolidine-3-carboxylate
CID 155921196
N-[2-(dimethylamino)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79383065
2-methylpyrrolidine-3-carbohydrazide
CID 79384311
N-[2-(ethylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388729
2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide
CID 116644086
ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate
CID 81141597
2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79388783
4-methyl-6-[(2-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
CID 79384720
N-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide
CID 106247563
2-methyl-N-(2-methylprop-2-enyl)pyrrolidine-3-carboxamide
CID 114617185

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate (CID 79389205) is ethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate is CCOC(=O)CCNC(=O)C1CCNC1C.
What is the InChIKey of ethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate?
The InChIKey is XEVRVGNARCRAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-16-10(14)5-7-13-11(15)9-4-6-12-8(9)2/h8-9,12H,3-7H2,1-2H3,(H,13,15).
What are the key properties of ethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate?
ethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate has a molecular weight of 228.29 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 79389205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).