ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate

C12H20N2O4 — CID 55006105

IUPACethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)C(C)NC(C)=O
InChIInChI=1S/C12H20N2O4/c1-4-18-12(17)10-6-5-7-14(10)11(16)8(2)13-9(3)15/h8,10H,4-7H2,1-3H3,(H,13,15)
InChIKeyZSMGJQQNUNINOR-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.07
Rot. Bonds4

About ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate

ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate (PubChem CID 55006105) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
PubChem CID55006105
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nameethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)C(C)NC(C)=O
InChIInChI=1S/C12H20N2O4/c1-4-18-12(17)10-6-5-7-14(10)11(16)8(2)13-9(3)15/h8,10H,4-7H2,1-3H3,(H,13,15)
InChIKeyZSMGJQQNUNINOR-UHFFFAOYSA-N
XLogP0.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
CID 81002762
ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate
CID 112688316
ethyl N-[[(2S)-1-[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-N-methylcarbamate
CID 54346309
ethyl N-[[(2S)-1-[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-deuterioamino]-N-methylcarbamate
CID 54346310
ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 78958335
ethyl 1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate
CID 143105469
(2S)-1-[(2S)-2-[[(2S)-2-[(4-ethoxy-4-oxobutanoyl)amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 70491895
ethyl (2S)-1-[(2S)-2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate
CID 15679346
ethyl (2R)-1-[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 10426764
(2S)-1-[(2S)-2-acetamidopropanoyl]-N-[(2S)-1-hydrazinyl-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
CID 46850017
ethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 78917554
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate (CID 55006105) is ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C(=O)C(C)NC(C)=O.
What is the InChIKey of ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is ZSMGJQQNUNINOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-4-18-12(17)10-6-5-7-14(10)11(16)8(2)13-9(3)15/h8,10H,4-7H2,1-3H3,(H,13,15).
What are the key properties of ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate?
ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 55006105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).