1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid

C17H22N2O5 — CID 122075805

IUPAC1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2cccc(OCC3CCCO3)c2)C1
InChIInChI=1S/C17H22N2O5/c20-16(21)12-6-7-19(10-12)17(22)18-13-3-1-4-14(9-13)24-11-15-5-2-8-23-15/h1,3-4,9,12,15H,2,5-8,10-11H2,(H,18,22)(H,20,21)
InChIKeyQDMLZWJWSJLVNI-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.18
Rot. Bonds5

About 1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid

1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122075805) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122075805
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2cccc(OCC3CCCO3)c2)C1
InChIInChI=1S/C17H22N2O5/c20-16(21)12-6-7-19(10-12)17(22)18-13-3-1-4-14(9-13)24-11-15-5-2-8-23-15/h1,3-4,9,12,15H,2,5-8,10-11H2,(H,18,22)(H,20,21)
InChIKeyQDMLZWJWSJLVNI-UHFFFAOYSA-N
XLogP2.18
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076597
1-(cyclopropanecarbonyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]piperidine-4-carboxamide
CID 38474824
(3S)-3-(methanesulfonamido)-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]piperidine-1-carboxamide
CID 52539738
N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828466
1-[[3-(2-methylpropoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076727
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
tert-butyl (3S)-3-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 38476608
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086770
1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076774
1-[(3-prop-2-ynoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122079740
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 122075805) is 1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2cccc(OCC3CCCO3)c2)C1.
What is the InChIKey of 1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is QDMLZWJWSJLVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c20-16(21)12-6-7-19(10-12)17(22)18-13-3-1-4-14(9-13)24-11-15-5-2-8-23-15/h1,3-4,9,12,15H,2,5-8,10-11H2,(H,18,22)(H,20,21).
What are the key properties of 1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid?
1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 334.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122075805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).