benzyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate

C21H23NO4 — CID 91699749

IUPACbenzyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
SMILESO=C(NC1(C(=O)OCc2ccccc2)CCCC1)OCc1ccccc1
InChIInChI=1S/C21H23NO4/c23-19(25-15-17-9-3-1-4-10-17)21(13-7-8-14-21)22-20(24)26-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,22,24)
InChIKeyYJNOHNQHJVAPTD-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.97
Rot. Bonds6

About benzyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate

benzyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate (PubChem CID 91699749) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is benzyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
PubChem CID91699749
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Namebenzyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
SMILESO=C(NC1(C(=O)OCc2ccccc2)CCCC1)OCc1ccccc1
InChIInChI=1S/C21H23NO4/c23-19(25-15-17-9-3-1-4-10-17)21(13-7-8-14-21)22-20(24)26-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,22,24)
InChIKeyYJNOHNQHJVAPTD-UHFFFAOYSA-N
XLogP3.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
The IUPAC name of benzyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate (CID 91699749) is benzyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for benzyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
The canonical SMILES for benzyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate is O=C(NC1(C(=O)OCc2ccccc2)CCCC1)OCc1ccccc1.
What is the InChIKey of benzyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
The InChIKey is YJNOHNQHJVAPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c23-19(25-15-17-9-3-1-4-10-17)21(13-7-8-14-21)22-20(24)26-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,22,24).
What are the key properties of benzyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
benzyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 91699749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).