(2R)-2-cyclopentyl-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid

C23H26N2O4 — CID 87239812

IUPAC(2R)-2-cyclopentyl-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid
SMILESO=C(/C=C/c1ccc(CN[C@@](C(=O)O)(c2ccccc2)C2CCCC2)cc1)NO
InChIInChI=1S/C23H26N2O4/c26-21(25-29)15-14-17-10-12-18(13-11-17)16-24-23(22(27)28,20-8-4-5-9-20)19-6-2-1-3-7-19/h1-3,6-7,10-15,20,24,29H,4-5,8-9,16H2,(H,25,26)(H,27,28)/b15-14+/t23-/m0/s1
InChIKeyPJRPXMLFHDICIN-NSFRLNINSA-N
MW394.47 g/mol
LogP3.47
Rot. Bonds8

About (2R)-2-cyclopentyl-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid

(2R)-2-cyclopentyl-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid (PubChem CID 87239812) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid
PubChem CID87239812
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name(2R)-2-cyclopentyl-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid
SMILESO=C(/C=C/c1ccc(CN[C@@](C(=O)O)(c2ccccc2)C2CCCC2)cc1)NO
InChIInChI=1S/C23H26N2O4/c26-21(25-29)15-14-17-10-12-18(13-11-17)16-24-23(22(27)28,20-8-4-5-9-20)19-6-2-1-3-7-19/h1-3,6-7,10-15,20,24,29H,4-5,8-9,16H2,(H,25,26)(H,27,28)/b15-14+/t23-/m0/s1
InChIKeyPJRPXMLFHDICIN-NSFRLNINSA-N
XLogP3.47
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-cyclopentyl-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-cyclopentyl-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid (CID 87239812) is (2R)-2-cyclopentyl-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-cyclopentyl-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-cyclopentyl-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid is O=C(/C=C/c1ccc(CN[C@@](C(=O)O)(c2ccccc2)C2CCCC2)cc1)NO.
What is the InChIKey of (2R)-2-cyclopentyl-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid?
The InChIKey is PJRPXMLFHDICIN-NSFRLNINSA-N. The full InChI is InChI=1S/C23H26N2O4/c26-21(25-29)15-14-17-10-12-18(13-11-17)16-24-23(22(27)28,20-8-4-5-9-20)19-6-2-1-3-7-19/h1-3,6-7,10-15,20,24,29H,4-5,8-9,16H2,(H,25,26)(H,27,28)/b15-14+/t23-/m0/s1.
What are the key properties of (2R)-2-cyclopentyl-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid?
(2R)-2-cyclopentyl-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid has a molecular weight of 394.47 g/mol, XLogP of 3.47, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid is sourced from PubChem (CID 87239812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).