4-(3-pyrrolidin-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid

C13H23N3O4 — CID 66239977

IUPAC4-(3-pyrrolidin-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid
SMILESO=C(NCCCN1CCCC1)NC1COCC1C(=O)O
InChIInChI=1S/C13H23N3O4/c17-12(18)10-8-20-9-11(10)15-13(19)14-4-3-7-16-5-1-2-6-16/h10-11H,1-9H2,(H,17,18)(H2,14,15,19)
InChIKeyHYHOGPDWXJXECB-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.13
Rot. Bonds6

About 4-(3-pyrrolidin-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid

4-(3-pyrrolidin-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid (PubChem CID 66239977) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-(3-pyrrolidin-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-pyrrolidin-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid
PubChem CID66239977
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-(3-pyrrolidin-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid
SMILESO=C(NCCCN1CCCC1)NC1COCC1C(=O)O
InChIInChI=1S/C13H23N3O4/c17-12(18)10-8-20-9-11(10)15-13(19)14-4-3-7-16-5-1-2-6-16/h10-11H,1-9H2,(H,17,18)(H2,14,15,19)
InChIKeyHYHOGPDWXJXECB-UHFFFAOYSA-N
XLogP-0.13
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid
CID 66240170
1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 110933278
4-(2-methylsulfanylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241373
1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea
CID 55457976
4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66241326
2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43579840
4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66241170
4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238536
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238975
4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66240776
4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid
CID 66239754

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrrolidin-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 4-(3-pyrrolidin-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid (CID 66239977) is 4-(3-pyrrolidin-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(3-pyrrolidin-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(3-pyrrolidin-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid is O=C(NCCCN1CCCC1)NC1COCC1C(=O)O.
What is the InChIKey of 4-(3-pyrrolidin-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid?
The InChIKey is HYHOGPDWXJXECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c17-12(18)10-8-20-9-11(10)15-13(19)14-4-3-7-16-5-1-2-6-16/h10-11H,1-9H2,(H,17,18)(H2,14,15,19).
What are the key properties of 4-(3-pyrrolidin-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid?
4-(3-pyrrolidin-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrrolidin-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66239977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).