trans-(1S,2S)-2-[4-(3,3-diphenylpropyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid

C22H22N2O4 — CID 10714663

IUPACtrans-(1S,2S)-2-[4-(3,3-diphenylpropyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C1NC(=O)C(CCC(c2ccccc2)c2ccccc2)([C@H]2C[C@@H]2C(=O)O)N1
InChIInChI=1S/C22H22N2O4/c25-19(26)17-13-18(17)22(20(27)23-21(28)24-22)12-11-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18H,11-13H2,(H,25,26)(H2,23,24,27,28)/t17-,18-,22?/m0/s1
InChIKeyFOXAXXPEMCYTPW-KJMDXERQSA-N
MW378.43 g/mol
LogP2.90
Rot. Bonds7

About trans-(1S,2S)-2-[4-(3,3-diphenylpropyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid

trans-(1S,2S)-2-[4-(3,3-diphenylpropyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid (PubChem CID 10714663) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is trans-(1S,2S)-2-[4-(3,3-diphenylpropyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[4-(3,3-diphenylpropyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
PubChem CID10714663
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Nametrans-(1S,2S)-2-[4-(3,3-diphenylpropyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C1NC(=O)C(CCC(c2ccccc2)c2ccccc2)([C@H]2C[C@@H]2C(=O)O)N1
InChIInChI=1S/C22H22N2O4/c25-19(26)17-13-18(17)22(20(27)23-21(28)24-22)12-11-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18H,11-13H2,(H,25,26)(H2,23,24,27,28)/t17-,18-,22?/m0/s1
InChIKeyFOXAXXPEMCYTPW-KJMDXERQSA-N
XLogP2.90
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trans-(1S,2S)-2-[4-(3,3-diphenylpropyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic 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

CID 236331
CID 236331
CID 90678719
CID 90678719
CID 3246142
CID 3246142
CID 13563117
CID 13563117
CID 19702158
CID 19702158
CID 19702172
CID 19702172
CID 19702184
CID 19702184
CID 19702206
CID 19702206
CID 19702207
CID 19702207
CID 19702219
CID 19702219
CID 19702225
CID 19702225
CID 19702238
CID 19702238

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[4-(3,3-diphenylpropyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-[4-(3,3-diphenylpropyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid (CID 10714663) is trans-(1S,2S)-2-[4-(3,3-diphenylpropyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-[4-(3,3-diphenylpropyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-[4-(3,3-diphenylpropyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid is O=C1NC(=O)C(CCC(c2ccccc2)c2ccccc2)([C@H]2C[C@@H]2C(=O)O)N1.
What is the InChIKey of trans-(1S,2S)-2-[4-(3,3-diphenylpropyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The InChIKey is FOXAXXPEMCYTPW-KJMDXERQSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-19(26)17-13-18(17)22(20(27)23-21(28)24-22)12-11-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18H,11-13H2,(H,25,26)(H2,23,24,27,28)/t17-,18-,22?/m0/s1.
What are the key properties of trans-(1S,2S)-2-[4-(3,3-diphenylpropyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-[4-(3,3-diphenylpropyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid has a molecular weight of 378.43 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[4-(3,3-diphenylpropyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 10714663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).