4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid

C17H23N3O5 — CID 122075528

IUPAC4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C17H23N3O5/c21-15(20-9-1-2-10-20)12-25-14-6-3-5-13(11-14)19-17(24)18-8-4-7-16(22)23/h3,5-6,11H,1-2,4,7-10,12H2,(H,22,23)(H2,18,19,24)
InChIKeyPSZRHKZPJAAFEE-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.67
Rot. Bonds8

About 4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid

4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid (PubChem CID 122075528) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid
PubChem CID122075528
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Name4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C17H23N3O5/c21-15(20-9-1-2-10-20)12-25-14-6-3-5-13(11-14)19-17(24)18-8-4-7-16(22)23/h3,5-6,11H,1-2,4,7-10,12H2,(H,22,23)(H2,18,19,24)
InChIKeyPSZRHKZPJAAFEE-UHFFFAOYSA-N
XLogP1.67
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic 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

4-[(3-prop-2-enoxyphenyl)carbamoylamino]butanoic acid
CID 122077767
4-[(3-methylperoxyphenyl)carbamoylamino]butanoic acid
CID 88964429
2-methyl-N-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]propanamide
CID 18870129
2-[3-(pent-4-ynylcarbamoylamino)phenoxy]acetic acid
CID 106222868
4,4-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 129255718
2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone
CID 117097629
2-[3-(3-methoxypropylcarbamoylamino)phenoxy]acetic acid
CID 61196148
2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide
CID 76868356
3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide
CID 119949591
3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119713843
2-naphthalen-1-yl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 46461055
2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
CID 60530152

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid?
The IUPAC name of 4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid (CID 122075528) is 4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid?
The canonical SMILES for 4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid is O=C(O)CCCNC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1.
What is the InChIKey of 4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid?
The InChIKey is PSZRHKZPJAAFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c21-15(20-9-1-2-10-20)12-25-14-6-3-5-13(11-14)19-17(24)18-8-4-7-16(22)23/h3,5-6,11H,1-2,4,7-10,12H2,(H,22,23)(H2,18,19,24).
What are the key properties of 4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid?
4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid has a molecular weight of 349.39 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid is sourced from PubChem (CID 122075528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).