(1R,2S,3S,4R)-3-[[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

C20H22N2O5 — CID 98475018

IUPAC(1R,2S,3S,4R)-3-[[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESC[C@H](NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C20H22N2O5/c1-11(12-3-2-4-15(10-12)22-7-8-27-20(22)26)21-18(23)16-13-5-6-14(9-13)17(16)19(24)25/h2-6,10-11,13-14,16-17H,7-9H2,1H3,(H,21,23)(H,24,25)/t11-,13-,14-,16-,17-/m0/s1
InChIKeyXDXYWLFMFLSONI-LLLJDESDSA-N
MW370.41 g/mol
LogP2.34
Rot. Bonds5

About (1R,2S,3S,4R)-3-[[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

(1R,2S,3S,4R)-3-[[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (PubChem CID 98475018) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is (1R,2S,3S,4R)-3-[[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2S,3S,4R)-3-[[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
PubChem CID98475018
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name(1R,2S,3S,4R)-3-[[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESC[C@H](NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C20H22N2O5/c1-11(12-3-2-4-15(10-12)22-7-8-27-20(22)26)21-18(23)16-13-5-6-14(9-13)17(16)19(24)25/h2-6,10-11,13-14,16-17H,7-9H2,1H3,(H,21,23)(H,24,25)/t11-,13-,14-,16-,17-/m0/s1
InChIKeyXDXYWLFMFLSONI-LLLJDESDSA-N
XLogP2.34
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2S,3S,4R)-3-[[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-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

(1R,2R,3R,4R)-3-[[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124865201
cis-(1R,2S)-2-(2,6-difluorophenyl)-N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 99251694
(1R,2S,3R,4R)-3-[[(1R)-1-phenylethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98152610
(1R,2S,3S,4R)-3-[[(1S)-1-phenylethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98152611
3-[1-(3-methoxyphenyl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 17265803
(1R,2R,3R,4S)-2-N,3-N-bis(1-phenylethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 101191099
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]urea
CID 97201711
(1R,2S,3S,4R)-3-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98310901
3-[1-(3,4-dichlorophenyl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 45330660
3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
CID 65295167
1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea
CID 95163705
(1R,2R,3R,4R)-3-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124714301

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,4R)-3-[[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The IUPAC name of (1R,2S,3S,4R)-3-[[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CID 98475018) is (1R,2S,3S,4R)-3-[[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
What is the SMILES notation for (1R,2S,3S,4R)-3-[[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The canonical SMILES for (1R,2S,3S,4R)-3-[[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C[C@H](NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1cccc(N2CCOC2=O)c1.
What is the InChIKey of (1R,2S,3S,4R)-3-[[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The InChIKey is XDXYWLFMFLSONI-LLLJDESDSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-11(12-3-2-4-15(10-12)22-7-8-27-20(22)26)21-18(23)16-13-5-6-14(9-13)17(16)19(24)25/h2-6,10-11,13-14,16-17H,7-9H2,1H3,(H,21,23)(H,24,25)/t11-,13-,14-,16-,17-/m0/s1.
What are the key properties of (1R,2S,3S,4R)-3-[[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
(1R,2S,3S,4R)-3-[[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,4R)-3-[[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is sourced from PubChem (CID 98475018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).