(2S)-2-[(4S)-4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]propanoate

C21H23N4O5- — CID 7308462

IUPAC(2S)-2-[(4S)-4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]propanoate
SMILESCC(C(=O)[O-])N1C(=O)N(c2ccccc2)[C@@H](N(O)C(=O)Nc2ccccc2)C1(C)C
InChIInChI=1S/C21H24N4O5/c1-14(17(26)27)24-20(29)23(16-12-8-5-9-13-16)18(21(24,2)3)25(30)19(28)22-15-10-6-4-7-11-15/h4-14,18,30H,1-3H3,(H,22,28)(H,26,27)/p-1/t14?,18-/m0/s1
InChIKeySACQAOVAQRQKRD-IBYPIGCZSA-M
MW411.44 g/mol
LogP2.10
Rot. Bonds5

About (2S)-2-[(4S)-4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]propanoate

(2S)-2-[(4S)-4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]propanoate (PubChem CID 7308462) has the molecular formula C21H23N4O5- and a molecular weight of 411.44 g/mol. Its IUPAC name is (2S)-2-[(4S)-4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]propanoate.

Molecular Properties

Compound Name(2S)-2-[(4S)-4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]propanoate
PubChem CID7308462
Molecular FormulaC21H23N4O5-
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC Name(2S)-2-[(4S)-4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]propanoate
SMILESCC(C(=O)[O-])N1C(=O)N(c2ccccc2)[C@@H](N(O)C(=O)Nc2ccccc2)C1(C)C
InChIInChI=1S/C21H24N4O5/c1-14(17(26)27)24-20(29)23(16-12-8-5-9-13-16)18(21(24,2)3)25(30)19(28)22-15-10-6-4-7-11-15/h4-14,18,30H,1-3H3,(H,22,28)(H,26,27)/p-1/t14?,18-/m0/s1
InChIKeySACQAOVAQRQKRD-IBYPIGCZSA-M
XLogP2.10
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4S)-5,5-dimethyl-1-(3-methylbutyl)-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 1400769
1-[(4S)-1-cyclohexyl-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 7361016
1-[(4S)-1-(2-hydrazinyl-2-oxoethyl)-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 7340170
1-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 40951160
methyl 2-[[2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetyl]amino]acetate
CID 3316950
1-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 40877286
methyl 2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-sulfanylideneimidazolidin-1-yl]propanoate
CID 3749978
1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 5191444
3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea
CID 40879399
3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea
CID 3730045
1-[5,5-dimethyl-3-(4-methylphenyl)-1-octyl-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 3265467
1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-propylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 3761126

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4S)-4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]propanoate?
The IUPAC name of (2S)-2-[(4S)-4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]propanoate (CID 7308462) is (2S)-2-[(4S)-4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]propanoate.
What is the SMILES notation for (2S)-2-[(4S)-4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]propanoate?
The canonical SMILES for (2S)-2-[(4S)-4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]propanoate is CC(C(=O)[O-])N1C(=O)N(c2ccccc2)[C@@H](N(O)C(=O)Nc2ccccc2)C1(C)C.
What is the InChIKey of (2S)-2-[(4S)-4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]propanoate?
The InChIKey is SACQAOVAQRQKRD-IBYPIGCZSA-M. The full InChI is InChI=1S/C21H24N4O5/c1-14(17(26)27)24-20(29)23(16-12-8-5-9-13-16)18(21(24,2)3)25(30)19(28)22-15-10-6-4-7-11-15/h4-14,18,30H,1-3H3,(H,22,28)(H,26,27)/p-1/t14?,18-/m0/s1.
What are the key properties of (2S)-2-[(4S)-4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]propanoate?
(2S)-2-[(4S)-4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]propanoate has a molecular weight of 411.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4S)-4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]propanoate is sourced from PubChem (CID 7308462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).