benzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate

C14H17NO4 — CID 71733448

IUPACbenzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate
SMILESO=C[C@@H]1CCC[C@H]1N(O)C(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO4/c16-9-12-7-4-8-13(12)15(18)14(17)19-10-11-5-2-1-3-6-11/h1-3,5-6,9,12-13,18H,4,7-8,10H2/t12-,13+/m0/s1
InChIKeyBEKIISLNULAFBR-QWHCGFSZSA-N
MW263.29 g/mol
LogP2.38
Rot. Bonds4

About benzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate

benzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate (PubChem CID 71733448) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is benzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate.

Molecular Properties

Compound Namebenzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate
PubChem CID71733448
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namebenzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate
SMILESO=C[C@@H]1CCC[C@H]1N(O)C(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO4/c16-9-12-7-4-8-13(12)15(18)14(17)19-10-11-5-2-1-3-6-11/h1-3,5-6,9,12-13,18H,4,7-8,10H2/t12-,13+/m0/s1
InChIKeyBEKIISLNULAFBR-QWHCGFSZSA-N
XLogP2.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(2S)-2-formylcyclohexyl]carbamate
CID 89323392
benzyl carbamate;cyclohexanecarbaldehyde
CID 142103337
benzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate
CID 66569376
benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid
CID 163373377
benzyl N-(2-aminoacetyl)-N-(2,6-dihydroxycyclohexyl)carbamate
CID 67867959
benzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate
CID 96553859
benzyl N-(1-formylcyclopropyl)-N-methylcarbamate
CID 129285103
benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate
CID 100967511
benzyl N-[(1R,6R)-6-ethenylcyclohexa-2,4-dien-1-yl]-N-hydroxycarbamate
CID 102346880
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146
benzyl N-cyclohexyl-N-(nitromethyl)carbamate
CID 100967512
2-[[(1R,2R)-2-[methyl(phenylmethoxycarbonyl)amino]cyclohexyl]amino]acetic acid
CID 96554081

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate?
The IUPAC name of benzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate (CID 71733448) is benzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate.
What is the SMILES notation for benzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate?
The canonical SMILES for benzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate is O=C[C@@H]1CCC[C@H]1N(O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate?
The InChIKey is BEKIISLNULAFBR-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H17NO4/c16-9-12-7-4-8-13(12)15(18)14(17)19-10-11-5-2-1-3-6-11/h1-3,5-6,9,12-13,18H,4,7-8,10H2/t12-,13+/m0/s1.
What are the key properties of benzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate?
benzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate has a molecular weight of 263.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate is sourced from PubChem (CID 71733448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).