2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic acid

C16H22N2O4 — CID 166263459

IUPAC2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic acid
SMILESCN(CCc1ccccc1)C(=O)N1CC[C@@H](OCC(=O)O)C1
InChIInChI=1S/C16H22N2O4/c1-17(9-7-13-5-3-2-4-6-13)16(21)18-10-8-14(11-18)22-12-15(19)20/h2-6,14H,7-12H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyLTOUDJPDEHTBKF-CQSZACIVSA-N
MW306.36 g/mol
LogP1.46
Rot. Bonds6

About 2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic acid

2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic acid (PubChem CID 166263459) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic acid
PubChem CID166263459
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic acid
SMILESCN(CCc1ccccc1)C(=O)N1CC[C@@H](OCC(=O)O)C1
InChIInChI=1S/C16H22N2O4/c1-17(9-7-13-5-3-2-4-6-13)16(21)18-10-8-14(11-18)22-12-15(19)20/h2-6,14H,7-12H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyLTOUDJPDEHTBKF-CQSZACIVSA-N
XLogP1.46
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic 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-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754
2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875250
2-[1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875757
2-[2-[methyl-(3-methylpyrrolidine-1-carbonyl)amino]ethyl]benzoic acid
CID 104548603
2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285051
2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63877473
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695
2-(methylamino)-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119815560
3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782826
2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876981
2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285133
(4-methoxypiperidin-1-yl)-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone
CID 42516002

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic acid (CID 166263459) is 2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic acid is CN(CCc1ccccc1)C(=O)N1CC[C@@H](OCC(=O)O)C1.
What is the InChIKey of 2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic acid?
The InChIKey is LTOUDJPDEHTBKF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-17(9-7-13-5-3-2-4-6-13)16(21)18-10-8-14(11-18)22-12-15(19)20/h2-6,14H,7-12H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of 2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic acid?
2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic acid has a molecular weight of 306.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic acid is sourced from PubChem (CID 166263459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).