3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-3-phenylpropanoic acid

C16H22N2O3 — CID 63219023

IUPAC3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-3-phenylpropanoic acid
SMILESCC1(C)CCCN1C(=O)NC(CC(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-16(2)9-6-10-18(16)15(21)17-13(11-14(19)20)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyRTAMJAVGDVBGDF-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.79
Rot. Bonds4

About 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-3-phenylpropanoic acid

3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 63219023) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID63219023
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-3-phenylpropanoic acid
SMILESCC1(C)CCCN1C(=O)NC(CC(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-16(2)9-6-10-18(16)15(21)17-13(11-14(19)20)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyRTAMJAVGDVBGDF-UHFFFAOYSA-N
XLogP2.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-3-phenylpropanoic 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

2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115285515
(2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566957
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 82759479
3-[[2-(1-aminocyclopentyl)acetyl]amino]-3-phenylpropanoic acid
CID 64679597
3-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid
CID 79854454
3-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 115965790
(2S)-2-tert-butyl-2-[[[(1S)-3-methoxy-3-oxo-1-phenylpropyl]carbamothioylamino]methyl]pyrrolidine-1-carboxylic acid
CID 87389998
3-[3-(azepan-1-yl)propanoylamino]-3-phenylpropanoic acid
CID 53215587
6-(2,2-dimethylpyrrolidine-1-carbonyl)-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 123314351
3-[[2-(methylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61159316
3-(ethoxycarbonylamino)-3-phenylpropanoic acid;hydrochloride
CID 174330958
4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid
CID 61186751

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-3-phenylpropanoic acid (CID 63219023) is 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-3-phenylpropanoic acid is CC1(C)CCCN1C(=O)NC(CC(=O)O)c1ccccc1.
What is the InChIKey of 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is RTAMJAVGDVBGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2)9-6-10-18(16)15(21)17-13(11-14(19)20)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-3-phenylpropanoic acid?
3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 63219023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).