3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid

C15H19N3O5 — CID 122006219

IUPAC3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
SMILESCOc1ccccc1N1CCC(NC(=O)NCCC(=O)O)C1=O
InChIInChI=1S/C15H19N3O5/c1-23-12-5-3-2-4-11(12)18-9-7-10(14(18)21)17-15(22)16-8-6-13(19)20/h2-5,10H,6-9H2,1H3,(H,19,20)(H2,16,17,22)
InChIKeyAWLRSZPDCGEWCQ-UHFFFAOYSA-N
MW321.33 g/mol
LogP0.57
Rot. Bonds6

About 3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid

3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid (PubChem CID 122006219) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
PubChem CID122006219
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
SMILESCOc1ccccc1N1CCC(NC(=O)NCCC(=O)O)C1=O
InChIInChI=1S/C15H19N3O5/c1-23-12-5-3-2-4-11(12)18-9-7-10(14(18)21)17-15(22)16-8-6-13(19)20/h2-5,10H,6-9H2,1H3,(H,19,20)(H2,16,17,22)
InChIKeyAWLRSZPDCGEWCQ-UHFFFAOYSA-N
XLogP0.57
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid
CID 122008222
4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 120563800
3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid
CID 122002288
4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 122001533
4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide;hydrochloride
CID 120563799
2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 99697494
3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106258155
1-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119813995
1-(ethylcarbamoylamino)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 167893221
N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide
CID 166406168
(2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120795888
N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide
CID 97089950

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid?
The IUPAC name of 3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid (CID 122006219) is 3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid is COc1ccccc1N1CCC(NC(=O)NCCC(=O)O)C1=O.
What is the InChIKey of 3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid?
The InChIKey is AWLRSZPDCGEWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-23-12-5-3-2-4-11(12)18-9-7-10(14(18)21)17-15(22)16-8-6-13(19)20/h2-5,10H,6-9H2,1H3,(H,19,20)(H2,16,17,22).
What are the key properties of 3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid?
3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid has a molecular weight of 321.33 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid is sourced from PubChem (CID 122006219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).