1-[2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide

C13H19N3O5 — CID 143290542

IUPAC1-[2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCC(=O)O1)C(=O)N1CCCC1C(N)=O
InChIInChI=1S/C13H19N3O5/c1-7(15-12(19)9-4-5-10(17)21-9)13(20)16-6-2-3-8(16)11(14)18/h7-9H,2-6H2,1H3,(H2,14,18)(H,15,19)
InChIKeyUWZCQEQLURPZJP-UHFFFAOYSA-N
MW297.31 g/mol
LogP-1.33
Rot. Bonds4

About 1-[2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide

1-[2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide (PubChem CID 143290542) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-[2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide
PubChem CID143290542
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name1-[2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCC(=O)O1)C(=O)N1CCCC1C(N)=O
InChIInChI=1S/C13H19N3O5/c1-7(15-12(19)9-4-5-10(17)21-9)13(20)16-6-2-3-8(16)11(14)18/h7-9H,2-6H2,1H3,(H2,14,18)(H,15,19)
InChIKeyUWZCQEQLURPZJP-UHFFFAOYSA-N
XLogP-1.33
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
CID 134827423
(2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide
CID 169260137
N-[(1R)-1-iodoethyl]-5-oxooxolane-2-carboxamide
CID 153078842
(2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 71419442
1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 61148979
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848
2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61200145
1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
CID 123334785
(2S)-N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-methyl-1-oxohexan-2-yl]-6-oxopiperidine-2-carboxamide
CID 10384280
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418
(2S)-1-[2-(4-pyridin-2-ylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide
CID 170311929

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide (CID 143290542) is 1-[2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide is CC(NC(=O)C1CCC(=O)O1)C(=O)N1CCCC1C(N)=O.
What is the InChIKey of 1-[2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is UWZCQEQLURPZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-7(15-12(19)9-4-5-10(17)21-9)13(20)16-6-2-3-8(16)11(14)18/h7-9H,2-6H2,1H3,(H2,14,18)(H,15,19).
What are the key properties of 1-[2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide?
1-[2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 297.31 g/mol, XLogP of -1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 143290542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).