(2S)-N-[4-(2-aminocyclopropyl)phenyl]-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide

C23H25N3O3 — CID 132523915

IUPAC(2S)-N-[4-(2-aminocyclopropyl)phenyl]-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide
SMILESNC1CC1c1ccc(NC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C23H25N3O3/c24-20-14-19(20)16-6-8-17(9-7-16)25-23(29)21-2-1-13-26(21)22(28)12-5-15-3-10-18(27)11-4-15/h3-12,19-21,27H,1-2,13-14,24H2,(H,25,29)/b12-5+/t19?,20?,21-/m0/s1
InChIKeyXIUKMPYUKVMNII-ABPYTTDLSA-N
MW391.47 g/mol
LogP2.85
Rot. Bonds5

About (2S)-N-[4-(2-aminocyclopropyl)phenyl]-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide

(2S)-N-[4-(2-aminocyclopropyl)phenyl]-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide (PubChem CID 132523915) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (2S)-N-[4-(2-aminocyclopropyl)phenyl]-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(2-aminocyclopropyl)phenyl]-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide
PubChem CID132523915
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(2S)-N-[4-(2-aminocyclopropyl)phenyl]-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide
SMILESNC1CC1c1ccc(NC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C23H25N3O3/c24-20-14-19(20)16-6-8-17(9-7-16)25-23(29)21-2-1-13-26(21)22(28)12-5-15-3-10-18(27)11-4-15/h3-12,19-21,27H,1-2,13-14,24H2,(H,25,29)/b12-5+/t19?,20?,21-/m0/s1
InChIKeyXIUKMPYUKVMNII-ABPYTTDLSA-N
XLogP2.85
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2S)-N-[4-(2-aminocyclopropyl)phenyl]-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide 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

N-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide
CID 71716967
1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide
CID 115343409
(2S)-1-(cyclopropene-1-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(cyclopropene-1-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 66824715
(2S)-1-(2-methylsulfanylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768691
(2R)-1-(2-phenylacetyl)-N-[4-[(E)-2-[4-[[(2R)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 53326825
(2S)-1-[2-(3-aminophenyl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-aminophenyl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 149136388
(2S)-1-(2-methoxyacetyl)-N-[4-[2-[4-[[(2S)-1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 91589177
(2S)-1-(thiophene-3-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768765
1-(thiophene-3-carbonyl)-N-[4-[(E)-2-[4-[[1-(thiophene-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 15980480
(2S)-1-[2-(3-methylphenyl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768846
ethyl 3-[4-[[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]prop-2-enoate
CID 55759244
ethyl 3-[4-[[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]prop-2-enoate
CID 74463175

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(2-aminocyclopropyl)phenyl]-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-(2-aminocyclopropyl)phenyl]-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide (CID 132523915) is (2S)-N-[4-(2-aminocyclopropyl)phenyl]-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(2-aminocyclopropyl)phenyl]-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(2-aminocyclopropyl)phenyl]-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide is NC1CC1c1ccc(NC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(O)cc2)cc1.
What is the InChIKey of (2S)-N-[4-(2-aminocyclopropyl)phenyl]-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide?
The InChIKey is XIUKMPYUKVMNII-ABPYTTDLSA-N. The full InChI is InChI=1S/C23H25N3O3/c24-20-14-19(20)16-6-8-17(9-7-16)25-23(29)21-2-1-13-26(21)22(28)12-5-15-3-10-18(27)11-4-15/h3-12,19-21,27H,1-2,13-14,24H2,(H,25,29)/b12-5+/t19?,20?,21-/m0/s1.
What are the key properties of (2S)-N-[4-(2-aminocyclopropyl)phenyl]-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide?
(2S)-N-[4-(2-aminocyclopropyl)phenyl]-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(2-aminocyclopropyl)phenyl]-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 132523915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).