2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid

C10H16N2O5 — CID 61371746

IUPAC2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCOC(=O)CNC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C10H16N2O5/c1-17-9(15)6-11-10(16)12-4-2-3-7(12)5-8(13)14/h7H,2-6H2,1H3,(H,11,16)(H,13,14)
InChIKeyJQGJYFHRWPAJCH-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.19
Rot. Bonds4

About 2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid

2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61371746) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
PubChem CID61371746
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCOC(=O)CNC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C10H16N2O5/c1-17-9(15)6-11-10(16)12-4-2-3-7(12)5-8(13)14/h7H,2-6H2,1H3,(H,11,16)(H,13,14)
InChIKeyJQGJYFHRWPAJCH-UHFFFAOYSA-N
XLogP-0.19
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methylprop-2-enylcarbamoyl)piperidin-2-yl]acetic acid
CID 114618094
2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid
CID 115356753
4-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122022100
2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114137800
2-[1-[3-(methylamino)propylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61404883
2-[1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 79350157
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 83114337
methyl 2-[1-(ethylcarbamoyl)piperidin-2-yl]acetate
CID 61010980
2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61372720
2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423
2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 114111582
2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010694

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid (CID 61371746) is 2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid is COC(=O)CNC(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is JQGJYFHRWPAJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-17-9(15)6-11-10(16)12-4-2-3-7(12)5-8(13)14/h7H,2-6H2,1H3,(H,11,16)(H,13,14).
What are the key properties of 2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 244.25 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61371746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).