[(1R,2R)-2-methoxycyclopentyl] 3-(cyclopropanecarbonylamino)benzoate

C17H21NO4 — CID 96523638

IUPAC[(1R,2R)-2-methoxycyclopentyl] 3-(cyclopropanecarbonylamino)benzoate
SMILESCO[C@@H]1CCC[C@H]1OC(=O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H21NO4/c1-21-14-6-3-7-15(14)22-17(20)12-4-2-5-13(10-12)18-16(19)11-8-9-11/h2,4-5,10-11,14-15H,3,6-9H2,1H3,(H,18,19)/t14-,15-/m1/s1
InChIKeyQUXWGBOFXLZBBY-HUUCEWRRSA-N
MW303.36 g/mol
LogP2.76
Rot. Bonds5

About [(1R,2R)-2-methoxycyclopentyl] 3-(cyclopropanecarbonylamino)benzoate

[(1R,2R)-2-methoxycyclopentyl] 3-(cyclopropanecarbonylamino)benzoate (PubChem CID 96523638) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is [(1R,2R)-2-methoxycyclopentyl] 3-(cyclopropanecarbonylamino)benzoate.

Molecular Properties

Compound Name[(1R,2R)-2-methoxycyclopentyl] 3-(cyclopropanecarbonylamino)benzoate
PubChem CID96523638
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name[(1R,2R)-2-methoxycyclopentyl] 3-(cyclopropanecarbonylamino)benzoate
SMILESCO[C@@H]1CCC[C@H]1OC(=O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H21NO4/c1-21-14-6-3-7-15(14)22-17(20)12-4-2-5-13(10-12)18-16(19)11-8-9-11/h2,4-5,10-11,14-15H,3,6-9H2,1H3,(H,18,19)/t14-,15-/m1/s1
InChIKeyQUXWGBOFXLZBBY-HUUCEWRRSA-N
XLogP2.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate
CID 112999895
methyl 3-[[4-(butylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109145173
3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
methyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate
CID 34143285
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
methyl 3-[[6-(cyclobutanecarbonylamino)pyridazin-3-yl]amino]benzoate
CID 113049442
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774
3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 29331430

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methoxycyclopentyl] 3-(cyclopropanecarbonylamino)benzoate?
The IUPAC name of [(1R,2R)-2-methoxycyclopentyl] 3-(cyclopropanecarbonylamino)benzoate (CID 96523638) is [(1R,2R)-2-methoxycyclopentyl] 3-(cyclopropanecarbonylamino)benzoate.
What is the SMILES notation for [(1R,2R)-2-methoxycyclopentyl] 3-(cyclopropanecarbonylamino)benzoate?
The canonical SMILES for [(1R,2R)-2-methoxycyclopentyl] 3-(cyclopropanecarbonylamino)benzoate is CO[C@@H]1CCC[C@H]1OC(=O)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of [(1R,2R)-2-methoxycyclopentyl] 3-(cyclopropanecarbonylamino)benzoate?
The InChIKey is QUXWGBOFXLZBBY-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H21NO4/c1-21-14-6-3-7-15(14)22-17(20)12-4-2-5-13(10-12)18-16(19)11-8-9-11/h2,4-5,10-11,14-15H,3,6-9H2,1H3,(H,18,19)/t14-,15-/m1/s1.
What are the key properties of [(1R,2R)-2-methoxycyclopentyl] 3-(cyclopropanecarbonylamino)benzoate?
[(1R,2R)-2-methoxycyclopentyl] 3-(cyclopropanecarbonylamino)benzoate has a molecular weight of 303.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methoxycyclopentyl] 3-(cyclopropanecarbonylamino)benzoate is sourced from PubChem (CID 96523638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).