(2S)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid

C15H20N2O3 — CID 104899164

IUPAC(2S)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
SMILESCC1CC(C)N(C(=O)N[C@H](C(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H20N2O3/c1-10-8-11(2)17(9-10)15(20)16-13(14(18)19)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3,(H,16,20)(H,18,19)/t10?,11?,13-/m0/s1
InChIKeyGAZPLJIZAREUOX-XIVSLSHWSA-N
MW276.34 g/mol
LogP2.25
Rot. Bonds3

About (2S)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid

(2S)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid (PubChem CID 104899164) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
PubChem CID104899164
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2S)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
SMILESCC1CC(C)N(C(=O)N[C@H](C(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H20N2O3/c1-10-8-11(2)17(9-10)15(20)16-13(14(18)19)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3,(H,16,20)(H,18,19)/t10?,11?,13-/m0/s1
InChIKeyGAZPLJIZAREUOX-XIVSLSHWSA-N
XLogP2.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 104876908
(2R)-2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 79181328
(2S)-2-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]-2-phenylacetic acid
CID 104899061
(2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone
CID 103833251
2-[(3-acetyl-5-methyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 21453201
(2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 61196822
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 115965924
2-[(4-methyl-2-oxo-3-propan-2-yloxycarbonylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 21453081
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 102962888
1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-phenylpropan-1-one
CID 146518635
2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid
CID 103261095
2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 21453173

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid (CID 104899164) is (2S)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid is CC1CC(C)N(C(=O)N[C@H](C(=O)O)c2ccccc2)C1.
What is the InChIKey of (2S)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is GAZPLJIZAREUOX-XIVSLSHWSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-8-11(2)17(9-10)15(20)16-13(14(18)19)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3,(H,16,20)(H,18,19)/t10?,11?,13-/m0/s1.
What are the key properties of (2S)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid?
(2S)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 104899164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).