ethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate

C14H26N2O3 — CID 102778708

IUPACethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)C1NCCC1C
InChIInChI=1S/C14H26N2O3/c1-5-19-12(17)9-16(8-10(2)3)14(18)13-11(4)6-7-15-13/h10-11,13,15H,5-9H2,1-4H3
InChIKeyVZDMHXFYNLLFSW-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.03
Rot. Bonds6

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

ethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate (PubChem CID 102778708) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate
PubChem CID102778708
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)C1NCCC1C
InChIInChI=1S/C14H26N2O3/c1-5-19-12(17)9-16(8-10(2)3)14(18)13-11(4)6-7-15-13/h10-11,13,15H,5-9H2,1-4H3
InChIKeyVZDMHXFYNLLFSW-UHFFFAOYSA-N
XLogP1.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-methylpropyl-(2-methylpyrrolidine-3-carbonyl)amino]acetate
CID 79388606
3-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 102778679
ethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate
CID 63046601
N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779936
ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate
CID 45115923
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylpyrrolidine-2-carboxamide
CID 103188683
3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835221
N-ethyl-3-methyl-N-propylpyrrolidine-2-carboxamide
CID 102777244
N-ethyl-N-(2-methoxyethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779207
ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate
CID 60947748
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide
CID 102778482
ethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate
CID 82764089

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate (CID 102778708) is ethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate is CCOC(=O)CN(CC(C)C)C(=O)C1NCCC1C.
What is the InChIKey of ethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate?
The InChIKey is VZDMHXFYNLLFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-19-12(17)9-16(8-10(2)3)14(18)13-11(4)6-7-15-13/h10-11,13,15H,5-9H2,1-4H3.
What are the key properties of ethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate?
ethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate has a molecular weight of 270.37 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate is sourced from PubChem (CID 102778708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).