ethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate

C12H20N2O4 — CID 103484289

IUPACethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN1CCCC1C(N)=O
InChIInChI=1S/C12H20N2O4/c1-2-18-11(16)6-5-9(15)8-14-7-3-4-10(14)12(13)17/h10H,2-8H2,1H3,(H2,13,17)
InChIKeyDUGZFKZSWJBSFP-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.15
Rot. Bonds7

About ethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate

ethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate (PubChem CID 103484289) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate
PubChem CID103484289
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nameethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN1CCCC1C(N)=O
InChIInChI=1S/C12H20N2O4/c1-2-18-11(16)6-5-9(15)8-14-7-3-4-10(14)12(13)17/h10H,2-8H2,1H3,(H2,13,17)
InChIKeyDUGZFKZSWJBSFP-UHFFFAOYSA-N
XLogP-0.15
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[(2S)-2-acetamidopropanoyl]amino]-4-oxopentanoate
CID 12184006
methyl 5-[[(2R)-2-acetamidopropanoyl]amino]-4-oxopentanoate
CID 12184007
methyl 5-[[(2R)-1-acetylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate
CID 44186199
methyl 5-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate
CID 44186391
5-[(1-tert-butoxycarbonyl-(2S)-pyrrolidinyl)carbon ylamino]levulinic acid methyl ester
CID 44186128
2-(4-Methoxycarbonyl-2-oxo-butylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 53669684
methyl 5-[[(2S,3S)-3-ethoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate
CID 58984876
methyl 5-[[(2S,4S)-4-methoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate
CID 58984947
methyl 4-oxo-5-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate
CID 71213946
[4-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-oxobutyl] propanoate
CID 89840352
[4-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-oxobutyl] acetate
CID 89840403
2-[(5-Methoxy-2,5-dioxopentyl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 154314523

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate?
The IUPAC name of ethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate (CID 103484289) is ethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate.
What is the SMILES notation for ethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate?
The canonical SMILES for ethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate is CCOC(=O)CCC(=O)CN1CCCC1C(N)=O.
What is the InChIKey of ethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate?
The InChIKey is DUGZFKZSWJBSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-2-18-11(16)6-5-9(15)8-14-7-3-4-10(14)12(13)17/h10H,2-8H2,1H3,(H2,13,17).
What are the key properties of ethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate?
ethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate has a molecular weight of 256.30 g/mol, XLogP of -0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate is sourced from PubChem (CID 103484289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).