2-methyl-3-[methyl-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]amino]propanoic acid

C17H23N3O4 — CID 122074817

IUPAC2-methyl-3-[methyl-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)Nc1ccccc1C(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C17H23N3O4/c1-12(16(22)23)11-19(2)17(24)18-14-8-4-3-7-13(14)15(21)20-9-5-6-10-20/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,18,24)(H,22,23)
InChIKeyOALVBVSPSKRPIM-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.11
Rot. Bonds5

About 2-methyl-3-[methyl-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]amino]propanoic acid

2-methyl-3-[methyl-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]amino]propanoic acid (PubChem CID 122074817) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]amino]propanoic acid
PubChem CID122074817
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-methyl-3-[methyl-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)Nc1ccccc1C(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C17H23N3O4/c1-12(16(22)23)11-19(2)17(24)18-14-8-4-3-7-13(14)15(21)20-9-5-6-10-20/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,18,24)(H,22,23)
InChIKeyOALVBVSPSKRPIM-UHFFFAOYSA-N
XLogP2.11
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[methyl-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]amino]propanoic 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

N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078
2,2-diphenyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1272938
2,2-diphenyl-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 1341137
2-acetamido-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 78773400
1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47201043
2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1322793
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid
CID 50969463
4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid
CID 122074814
2-amino-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119268834
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]amino]propanoic acid (CID 122074817) is 2-methyl-3-[methyl-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]amino]propanoic acid is CC(CN(C)C(=O)Nc1ccccc1C(=O)N1CCCC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]amino]propanoic acid?
The InChIKey is OALVBVSPSKRPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-12(16(22)23)11-19(2)17(24)18-14-8-4-3-7-13(14)15(21)20-9-5-6-10-20/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,18,24)(H,22,23).
What are the key properties of 2-methyl-3-[methyl-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]amino]propanoic acid?
2-methyl-3-[methyl-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]amino]propanoic acid has a molecular weight of 333.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 122074817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).