2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid

C12H21N3O4 — CID 61370516

IUPAC2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid
SMILESCCCNC(=O)NC(=O)CN1CCCC1CC(=O)O
InChIInChI=1S/C12H21N3O4/c1-2-5-13-12(19)14-10(16)8-15-6-3-4-9(15)7-11(17)18/h9H,2-8H2,1H3,(H,17,18)(H2,13,14,16,19)
InChIKeyMIMWPUUHQPYCOW-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.16
Rot. Bonds6

About 2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid

2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61370516) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid
PubChem CID61370516
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid
SMILESCCCNC(=O)NC(=O)CN1CCCC1CC(=O)O
InChIInChI=1S/C12H21N3O4/c1-2-5-13-12(19)14-10(16)8-15-6-3-4-9(15)7-11(17)18/h9H,2-8H2,1H3,(H,17,18)(H2,13,14,16,19)
InChIKeyMIMWPUUHQPYCOW-UHFFFAOYSA-N
XLogP0.16
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid
CID 61370340
2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 18137773
2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899672
2-[1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899300
2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 93438414
2-[(3R)-3-methylpiperidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 8903288
2-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899533
2-[(2S)-1-[3-(hexanoylamino)propyl]pyrrolidin-2-yl]acetic acid
CID 24762741
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 62015118
2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 62654269
2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 9402588
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119926962

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid (CID 61370516) is 2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid is CCCNC(=O)NC(=O)CN1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is MIMWPUUHQPYCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-2-5-13-12(19)14-10(16)8-15-6-3-4-9(15)7-11(17)18/h9H,2-8H2,1H3,(H,17,18)(H2,13,14,16,19).
What are the key properties of 2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).