tert-butyl N-[(1R,2R)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate

C14H25NO4 — CID 101466009

IUPACtert-butyl N-[(1R,2R)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate
SMILESCCCCO[C@@H]1C=CC[C@H]1N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-5-6-10-18-12-9-7-8-11(12)15(17)13(16)19-14(2,3)4/h7,9,11-12,17H,5-6,8,10H2,1-4H3/t11-,12-/m1/s1
InChIKeyVZCMQJSHBMSYEO-VXGBXAGGSA-N
MW271.36 g/mol
LogP3.13
Rot. Bonds5

About tert-butyl N-[(1R,2R)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate

tert-butyl N-[(1R,2R)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate (PubChem CID 101466009) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate
PubChem CID101466009
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl N-[(1R,2R)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate
SMILESCCCCO[C@@H]1C=CC[C@H]1N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-5-6-10-18-12-9-7-8-11(12)15(17)13(16)19-14(2,3)4/h7,9,11-12,17H,5-6,8,10H2,1-4H3/t11-,12-/m1/s1
InChIKeyVZCMQJSHBMSYEO-VXGBXAGGSA-N
XLogP3.13
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate
CID 101466013
tert-butyl N-hydroxy-N-[(1S,2S)-2-(2-methoxyethoxy)cyclopent-3-en-1-yl]carbamate
CID 42642819
tert-butyl N-(4-ethylcyclopent-2-en-1-yl)-N-hydroxycarbamate
CID 85373698
tert-butyl N-[[(1R,5S,6S)-6-bicyclo[3.1.0]hex-2-enyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 151847511
3-butoxy-4-(2-methoxyethyl)cyclopentene
CID 118406794
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
6-butoxycyclohexa-2,4-diene-1-carboxylic acid
CID 175024071
ethane;methanol;(4R)-4-methoxy-N-methyl-3-pentoxycyclohepta-1,5-dien-1-amine
CID 155704328
tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 89457667
tert-butyl N,N-dipentylcarbamate
CID 65142743
(1S,2R,3R,4S,5S,6R)-3,4,5,6-tetrabutoxycyclohexane-1,2-diol
CID 70406349
tert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate
CID 165095069

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate (CID 101466009) is tert-butyl N-[(1R,2R)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate is CCCCO[C@@H]1C=CC[C@H]1N(O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R,2R)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate?
The InChIKey is VZCMQJSHBMSYEO-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H25NO4/c1-5-6-10-18-12-9-7-8-11(12)15(17)13(16)19-14(2,3)4/h7,9,11-12,17H,5-6,8,10H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate?
tert-butyl N-[(1R,2R)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate has a molecular weight of 271.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate is sourced from PubChem (CID 101466009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).