(2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid

C18H21N3O5 — CID 119366870

IUPAC(2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid
SMILESCC1(C2CC2)NC(=O)N(CC(=O)N[C@H](Cc2ccccc2)C(=O)O)C1=O
InChIInChI=1S/C18H21N3O5/c1-18(12-7-8-12)16(25)21(17(26)20-18)10-14(22)19-13(15(23)24)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,19,22)(H,20,26)(H,23,24)/t13-,18?/m1/s1
InChIKeyGZMQXDDXBGBFMI-YJJYDOSJSA-N
MW359.38 g/mol
LogP0.52
Rot. Bonds7

About (2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid

(2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid (PubChem CID 119366870) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is (2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid
PubChem CID119366870
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name(2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid
SMILESCC1(C2CC2)NC(=O)N(CC(=O)N[C@H](Cc2ccccc2)C(=O)O)C1=O
InChIInChI=1S/C18H21N3O5/c1-18(12-7-8-12)16(25)21(17(26)20-18)10-14(22)19-13(15(23)24)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,19,22)(H,20,26)(H,23,24)/t13-,18?/m1/s1
InChIKeyGZMQXDDXBGBFMI-YJJYDOSJSA-N
XLogP0.52
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119367435
N-(2-benzylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16556819
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[furan-2-yl(phenyl)methyl]acetamide
CID 78807544
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 2577868
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8576435
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 78791485
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 16557391
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-iodophenyl)acetamide
CID 16557019
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 31001957
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 41089149
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8576444
3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 24542027

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid (CID 119366870) is (2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid is CC1(C2CC2)NC(=O)N(CC(=O)N[C@H](Cc2ccccc2)C(=O)O)C1=O.
What is the InChIKey of (2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is GZMQXDDXBGBFMI-YJJYDOSJSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-18(12-7-8-12)16(25)21(17(26)20-18)10-14(22)19-13(15(23)24)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,19,22)(H,20,26)(H,23,24)/t13-,18?/m1/s1.
What are the key properties of (2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid?
(2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 359.38 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 119366870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).