benzyl N-[1-(hydroxymethyl)cyclopentyl]carbamate

C14H19NO3 — CID 11557863

IUPACbenzyl N-[1-(hydroxymethyl)cyclopentyl]carbamate
SMILESO=C(NC1(CO)CCCC1)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c16-11-14(8-4-5-9-14)15-13(17)18-10-12-6-2-1-3-7-12/h1-3,6-7,16H,4-5,8-11H2,(H,15,17)
InChIKeyRKEXRWHLNBGLEV-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.22
Rot. Bonds4

About benzyl N-[1-(hydroxymethyl)cyclopentyl]carbamate

benzyl N-[1-(hydroxymethyl)cyclopentyl]carbamate (PubChem CID 11557863) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl N-[1-(hydroxymethyl)cyclopentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(hydroxymethyl)cyclopentyl]carbamate
PubChem CID11557863
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl N-[1-(hydroxymethyl)cyclopentyl]carbamate
SMILESO=C(NC1(CO)CCCC1)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c16-11-14(8-4-5-9-14)15-13(17)18-10-12-6-2-1-3-7-12/h1-3,6-7,16H,4-5,8-11H2,(H,15,17)
InChIKeyRKEXRWHLNBGLEV-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(hydroxymethyl)cyclopentyl]carbamate?
The IUPAC name of benzyl N-[1-(hydroxymethyl)cyclopentyl]carbamate (CID 11557863) is benzyl N-[1-(hydroxymethyl)cyclopentyl]carbamate.
What is the SMILES notation for benzyl N-[1-(hydroxymethyl)cyclopentyl]carbamate?
The canonical SMILES for benzyl N-[1-(hydroxymethyl)cyclopentyl]carbamate is O=C(NC1(CO)CCCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(hydroxymethyl)cyclopentyl]carbamate?
The InChIKey is RKEXRWHLNBGLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-11-14(8-4-5-9-14)15-13(17)18-10-12-6-2-1-3-7-12/h1-3,6-7,16H,4-5,8-11H2,(H,15,17).
What are the key properties of benzyl N-[1-(hydroxymethyl)cyclopentyl]carbamate?
benzyl N-[1-(hydroxymethyl)cyclopentyl]carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(hydroxymethyl)cyclopentyl]carbamate is sourced from PubChem (CID 11557863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).