(2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid

C16H19N3O6 — CID 119943115

IUPAC(2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)N[C@@H](C)C(=O)O)C2=O)cc1
InChIInChI=1S/C16H19N3O6/c1-9(13(21)22)17-12(20)8-19-14(23)16(2,18-15(19)24)10-4-6-11(25-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,17,20)(H,18,24)(H,21,22)/t9-,16?/m0/s1
InChIKeySMALYBAHQUZHMC-XUOZKRPMSA-N
MW349.34 g/mol
LogP0.05
Rot. Bonds6

About (2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid

(2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid (PubChem CID 119943115) has the molecular formula C16H19N3O6 and a molecular weight of 349.34 g/mol. Its IUPAC name is (2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
PubChem CID119943115
Molecular FormulaC16H19N3O6
Molecular Weight349.34 g/mol
Exact Mass349.13
IUPAC Name(2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)N[C@@H](C)C(=O)O)C2=O)cc1
InChIInChI=1S/C16H19N3O6/c1-9(13(21)22)17-12(20)8-19-14(23)16(2,18-15(19)24)10-4-6-11(25-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,17,20)(H,18,24)(H,21,22)/t9-,16?/m0/s1
InChIKeySMALYBAHQUZHMC-XUOZKRPMSA-N
XLogP0.05
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]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

(2R)-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
CID 119370203
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 17403701
2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40857215
N-(2-amino-1-cyclopropylethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 119617444
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119504052
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 46674232
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46665792
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46665832
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55419227
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
CID 119608759
2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-butan-2-yl]acetamide
CID 51448091
N-[2-(4-methoxyphenoxy)ethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55416466

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid (CID 119943115) is (2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid is COc1ccc(C2(C)NC(=O)N(CC(=O)N[C@@H](C)C(=O)O)C2=O)cc1.
What is the InChIKey of (2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid?
The InChIKey is SMALYBAHQUZHMC-XUOZKRPMSA-N. The full InChI is InChI=1S/C16H19N3O6/c1-9(13(21)22)17-12(20)8-19-14(23)16(2,18-15(19)24)10-4-6-11(25-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,17,20)(H,18,24)(H,21,22)/t9-,16?/m0/s1.
What are the key properties of (2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid?
(2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid has a molecular weight of 349.34 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid is sourced from PubChem (CID 119943115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).