propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate

C17H21NO3 — CID 31011292

IUPACpropan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1
InChIInChI=1S/C17H21NO3/c1-12(2)21-17(20)14-7-9-15(10-8-14)18-16(19)11-13-5-3-4-6-13/h3,5,7-10,12-13H,4,6,11H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyNLNFUSUTAHSPOV-ZDUSSCGKSA-N
MW287.36 g/mol
LogP3.55
Rot. Bonds5

About propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate

propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate (PubChem CID 31011292) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate
PubChem CID31011292
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namepropan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1
InChIInChI=1S/C17H21NO3/c1-12(2)21-17(20)14-7-9-15(10-8-14)18-16(19)11-13-5-3-4-6-13/h3,5,7-10,12-13H,4,6,11H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyNLNFUSUTAHSPOV-ZDUSSCGKSA-N
XLogP3.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-methylbenzamide
CID 18196739
4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9203613
2-cyclopent-2-en-1-yl-N-[4-(diethylamino)phenyl]acetamide
CID 78809324
2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid
CID 60662033
propan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate
CID 79843320
N-[4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]furan-2-carboxamide
CID 42014387
(2S)-N-[4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]oxolane-2-carboxamide
CID 37396123
N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9068457
N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9279041
2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 9203754
N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43599907
2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46820855

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate (CID 31011292) is propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1.
What is the InChIKey of propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate?
The InChIKey is NLNFUSUTAHSPOV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(2)21-17(20)14-7-9-15(10-8-14)18-16(19)11-13-5-3-4-6-13/h3,5,7-10,12-13H,4,6,11H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate?
propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate has a molecular weight of 287.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate is sourced from PubChem (CID 31011292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).