2-[(4-methyl-2-oxo-3-propan-2-yloxycarbonylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid

C17H21N3O6 — CID 21453081

IUPAC2-[(4-methyl-2-oxo-3-propan-2-yloxycarbonylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
SMILESCC(C)OC(=O)N1C(=O)N(C(=O)NC(C(=O)O)c2ccccc2)CC1C
InChIInChI=1S/C17H21N3O6/c1-10(2)26-17(25)20-11(3)9-19(16(20)24)15(23)18-13(14(21)22)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyDTHFSVUPDJALGA-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.19
Rot. Bonds4

About 2-[(4-methyl-2-oxo-3-propan-2-yloxycarbonylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid

2-[(4-methyl-2-oxo-3-propan-2-yloxycarbonylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid (PubChem CID 21453081) has the molecular formula C17H21N3O6 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-[(4-methyl-2-oxo-3-propan-2-yloxycarbonylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(4-methyl-2-oxo-3-propan-2-yloxycarbonylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
PubChem CID21453081
Molecular FormulaC17H21N3O6
Molecular Weight363.37 g/mol
Exact Mass363.14
IUPAC Name2-[(4-methyl-2-oxo-3-propan-2-yloxycarbonylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
SMILESCC(C)OC(=O)N1C(=O)N(C(=O)NC(C(=O)O)c2ccccc2)CC1C
InChIInChI=1S/C17H21N3O6/c1-10(2)26-17(25)20-11(3)9-19(16(20)24)15(23)18-13(14(21)22)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyDTHFSVUPDJALGA-UHFFFAOYSA-N
XLogP2.19
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methyl-2-oxo-3-propan-2-yloxycarbonylimidazolidine-1-carbonyl)amino]-2-phenylacetic 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-[(3-acetyl-5-methyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 21453201
(2S)-2-phenyl-2-(propan-2-yloxycarbonylamino)acetic acid
CID 104897066
(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
(2S)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 104899164
(2R)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 104876908
2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 21453173
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 115965924
2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid
CID 21444695
2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 21453115
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 102962888
2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid
CID 103261095

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2-oxo-3-propan-2-yloxycarbonylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(4-methyl-2-oxo-3-propan-2-yloxycarbonylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid (CID 21453081) is 2-[(4-methyl-2-oxo-3-propan-2-yloxycarbonylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(4-methyl-2-oxo-3-propan-2-yloxycarbonylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(4-methyl-2-oxo-3-propan-2-yloxycarbonylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid is CC(C)OC(=O)N1C(=O)N(C(=O)NC(C(=O)O)c2ccccc2)CC1C.
What is the InChIKey of 2-[(4-methyl-2-oxo-3-propan-2-yloxycarbonylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is DTHFSVUPDJALGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O6/c1-10(2)26-17(25)20-11(3)9-19(16(20)24)15(23)18-13(14(21)22)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,18,23)(H,21,22).
What are the key properties of 2-[(4-methyl-2-oxo-3-propan-2-yloxycarbonylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid?
2-[(4-methyl-2-oxo-3-propan-2-yloxycarbonylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 363.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2-oxo-3-propan-2-yloxycarbonylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 21453081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).