(Z)-7-[(2R)-2-(benzylcarbamoyloxymethyl)-5-oxopyrrolidin-1-yl]hept-5-enoic acid

C20H26N2O5 — CID 10452042

IUPAC(Z)-7-[(2R)-2-(benzylcarbamoyloxymethyl)-5-oxopyrrolidin-1-yl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\CN1C(=O)CC[C@@H]1COC(=O)NCc1ccccc1
InChIInChI=1S/C20H26N2O5/c23-18-12-11-17(22(18)13-7-2-1-6-10-19(24)25)15-27-20(26)21-14-16-8-4-3-5-9-16/h2-5,7-9,17H,1,6,10-15H2,(H,21,26)(H,24,25)/b7-2-/t17-/m1/s1
InChIKeyPFBPZNLGJPQGRR-ZTSSLWBESA-N
MW374.44 g/mol
LogP2.71
Rot. Bonds10

About (Z)-7-[(2R)-2-(benzylcarbamoyloxymethyl)-5-oxopyrrolidin-1-yl]hept-5-enoic acid

(Z)-7-[(2R)-2-(benzylcarbamoyloxymethyl)-5-oxopyrrolidin-1-yl]hept-5-enoic acid (PubChem CID 10452042) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is (Z)-7-[(2R)-2-(benzylcarbamoyloxymethyl)-5-oxopyrrolidin-1-yl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(2R)-2-(benzylcarbamoyloxymethyl)-5-oxopyrrolidin-1-yl]hept-5-enoic acid
PubChem CID10452042
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name(Z)-7-[(2R)-2-(benzylcarbamoyloxymethyl)-5-oxopyrrolidin-1-yl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\CN1C(=O)CC[C@@H]1COC(=O)NCc1ccccc1
InChIInChI=1S/C20H26N2O5/c23-18-12-11-17(22(18)13-7-2-1-6-10-19(24)25)15-27-20(26)21-14-16-8-4-3-5-9-16/h2-5,7-9,17H,1,6,10-15H2,(H,21,26)(H,24,25)/b7-2-/t17-/m1/s1
InChIKeyPFBPZNLGJPQGRR-ZTSSLWBESA-N
XLogP2.71
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-7-[(2R)-2-(benzylcarbamoyloxymethyl)-5-oxopyrrolidin-1-yl]hept-5-enoic 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

1-[5-(Butoxycarbonylamino)-4-oxo-6-phenylhexanoyl]pyrrolidine-2-carboxylic acid
CID 12854268
N-benzyl-2-[(6S,8Z)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide
CID 44201579
N-benzyl-2-[(3R,5Z,14R)-2,11-dioxo-12-oxa-1-azabicyclo[12.3.0]heptadec-5-en-3-yl]-N-(2-hydroxyethyl)acetamide
CID 44201784
N-benzyl-N-(2-hydroxyethyl)-2-[(3S,6R,8Z)-3-methyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]acetamide
CID 44201603
tert-butyl 2-[(3R,5Z,8S,12R)-3-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-8-yl]acetate
CID 44201641
N-benzyl-2-[(3R,5Z,13R)-2,10-dioxo-11-oxa-1-azabicyclo[11.3.0]hexadec-5-en-3-yl]-N-(2-hydroxyethyl)acetamide
CID 44201779
(3S,6S,8E,12S)-12-Amino-N-(2-hydroxyethyl)-3-methyl-5,13-dioxo-N-(phenylmethyl)-1-oxa-4-azacyclotridec-8-ene-6-acetamide
CID 25109984
2-[(3S,5Z,12S)-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 44201584
tert-butyl 2-[(3S,5Z,8R,12R)-3-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-8-yl]acetate
CID 44201607
tert-butyl 2-[(3S,5Z,8R,12S)-3-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-8-yl]acetate
CID 44201642
tert-butyl 2-[(3R,5Z,8S,12S)-3-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-8-yl]acetate
CID 44201747
tert-butyl 2-[(3R,5Z,8R,12S)-3-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-8-yl]acetate
CID 44201757

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(2R)-2-(benzylcarbamoyloxymethyl)-5-oxopyrrolidin-1-yl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(2R)-2-(benzylcarbamoyloxymethyl)-5-oxopyrrolidin-1-yl]hept-5-enoic acid (CID 10452042) is (Z)-7-[(2R)-2-(benzylcarbamoyloxymethyl)-5-oxopyrrolidin-1-yl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(2R)-2-(benzylcarbamoyloxymethyl)-5-oxopyrrolidin-1-yl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(2R)-2-(benzylcarbamoyloxymethyl)-5-oxopyrrolidin-1-yl]hept-5-enoic acid is O=C(O)CCC/C=C\CN1C(=O)CC[C@@H]1COC(=O)NCc1ccccc1.
What is the InChIKey of (Z)-7-[(2R)-2-(benzylcarbamoyloxymethyl)-5-oxopyrrolidin-1-yl]hept-5-enoic acid?
The InChIKey is PFBPZNLGJPQGRR-ZTSSLWBESA-N. The full InChI is InChI=1S/C20H26N2O5/c23-18-12-11-17(22(18)13-7-2-1-6-10-19(24)25)15-27-20(26)21-14-16-8-4-3-5-9-16/h2-5,7-9,17H,1,6,10-15H2,(H,21,26)(H,24,25)/b7-2-/t17-/m1/s1.
What are the key properties of (Z)-7-[(2R)-2-(benzylcarbamoyloxymethyl)-5-oxopyrrolidin-1-yl]hept-5-enoic acid?
(Z)-7-[(2R)-2-(benzylcarbamoyloxymethyl)-5-oxopyrrolidin-1-yl]hept-5-enoic acid has a molecular weight of 374.44 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(2R)-2-(benzylcarbamoyloxymethyl)-5-oxopyrrolidin-1-yl]hept-5-enoic acid is sourced from PubChem (CID 10452042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).