3-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid

C13H23N3O4 — CID 64890817

IUPAC3-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCCN1CCCC1CNC(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C13H23N3O4/c1-2-16-6-3-4-10(16)8-14-12(19)15-13(11(17)18)5-7-20-9-13/h10H,2-9H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyATXOJTLZYNYQIL-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.01
Rot. Bonds5

About 3-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid

3-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 64890817) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID64890817
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name3-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCCN1CCCC1CNC(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C13H23N3O4/c1-2-16-6-3-4-10(16)8-14-12(19)15-13(11(17)18)5-7-20-9-13/h10H,2-9H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyATXOJTLZYNYQIL-UHFFFAOYSA-N
XLogP0.01
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433973
4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292855
3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64892475
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 64893261
3-[3-(ethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 64893471
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
(2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 80757650
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816503
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145708
3-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 116635668

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid (CID 64890817) is 3-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid is CCN1CCCC1CNC(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is ATXOJTLZYNYQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-2-16-6-3-4-10(16)8-14-12(19)15-13(11(17)18)5-7-20-9-13/h10H,2-9H2,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 3-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid?
3-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64890817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).