3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid

C11H17N3O5 — CID 64888327

IUPAC3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESNC(=O)C1CCCN1C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H17N3O5/c12-8(15)7-2-1-4-14(7)10(18)13-11(9(16)17)3-5-19-6-11/h7H,1-6H2,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyMRCQZZWJKVYGNQ-UHFFFAOYSA-N
MW271.27 g/mol
LogP-1.11
Rot. Bonds3

About 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid

3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 64888327) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID64888327
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESNC(=O)C1CCCN1C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H17N3O5/c12-8(15)7-2-1-4-14(7)10(18)13-11(9(16)17)3-5-19-6-11/h7H,1-6H2,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyMRCQZZWJKVYGNQ-UHFFFAOYSA-N
XLogP-1.11
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid (CID 64888327) is 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid is NC(=O)C1CCCN1C(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is MRCQZZWJKVYGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c12-8(15)7-2-1-4-14(7)10(18)13-11(9(16)17)3-5-19-6-11/h7H,1-6H2,(H2,12,15)(H,13,18)(H,16,17).
What are the key properties of 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of -1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64888327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).