methyl N-hydroxy-N-[2-[hydroxy-(4-methoxyphenyl)methyl]cyclopent-3-en-1-yl]carbamate

C15H19NO5 — CID 11087644

IUPACmethyl N-hydroxy-N-[2-[hydroxy-(4-methoxyphenyl)methyl]cyclopent-3-en-1-yl]carbamate
SMILESCOC(=O)N(O)C1CC=CC1C(O)c1ccc(OC)cc1
InChIInChI=1S/C15H19NO5/c1-20-11-8-6-10(7-9-11)14(17)12-4-3-5-13(12)16(19)15(18)21-2/h3-4,6-9,12-14,17,19H,5H2,1-2H3
InChIKeyARJPFCYHNCWTKA-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.13
Rot. Bonds4

About methyl N-hydroxy-N-[2-[hydroxy-(4-methoxyphenyl)methyl]cyclopent-3-en-1-yl]carbamate

methyl N-hydroxy-N-[2-[hydroxy-(4-methoxyphenyl)methyl]cyclopent-3-en-1-yl]carbamate (PubChem CID 11087644) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl N-hydroxy-N-[2-[hydroxy-(4-methoxyphenyl)methyl]cyclopent-3-en-1-yl]carbamate.

Molecular Properties

Compound Namemethyl N-hydroxy-N-[2-[hydroxy-(4-methoxyphenyl)methyl]cyclopent-3-en-1-yl]carbamate
PubChem CID11087644
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namemethyl N-hydroxy-N-[2-[hydroxy-(4-methoxyphenyl)methyl]cyclopent-3-en-1-yl]carbamate
SMILESCOC(=O)N(O)C1CC=CC1C(O)c1ccc(OC)cc1
InChIInChI=1S/C15H19NO5/c1-20-11-8-6-10(7-9-11)14(17)12-4-3-5-13(12)16(19)15(18)21-2/h3-4,6-9,12-14,17,19H,5H2,1-2H3
InChIKeyARJPFCYHNCWTKA-UHFFFAOYSA-N
XLogP2.13
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-methoxyphenyl)methanol
CID 102082183
methyl 3-amino-4-hydroxy-4-(4-methoxyphenyl)butanoate
CID 82348360
methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
(S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol
CID 10754804
(4-methoxyphenyl)-(2-methylcyclopentyl)methanol
CID 107181512
(4-methoxyphenyl)-[2-(methylamino)cyclohexyl]methanol
CID 117066669
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805
methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate
CID 105485252
(4-ethylcyclohexyl)-(4-methoxyphenyl)methanol
CID 64749359
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
1-hydroxy-1-(4-methoxyphenyl)propan-2-one
CID 10080999
(2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide
CID 96538154

Frequently Asked Questions

What is the IUPAC name of methyl N-hydroxy-N-[2-[hydroxy-(4-methoxyphenyl)methyl]cyclopent-3-en-1-yl]carbamate?
The IUPAC name of methyl N-hydroxy-N-[2-[hydroxy-(4-methoxyphenyl)methyl]cyclopent-3-en-1-yl]carbamate (CID 11087644) is methyl N-hydroxy-N-[2-[hydroxy-(4-methoxyphenyl)methyl]cyclopent-3-en-1-yl]carbamate.
What is the SMILES notation for methyl N-hydroxy-N-[2-[hydroxy-(4-methoxyphenyl)methyl]cyclopent-3-en-1-yl]carbamate?
The canonical SMILES for methyl N-hydroxy-N-[2-[hydroxy-(4-methoxyphenyl)methyl]cyclopent-3-en-1-yl]carbamate is COC(=O)N(O)C1CC=CC1C(O)c1ccc(OC)cc1.
What is the InChIKey of methyl N-hydroxy-N-[2-[hydroxy-(4-methoxyphenyl)methyl]cyclopent-3-en-1-yl]carbamate?
The InChIKey is ARJPFCYHNCWTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-11-8-6-10(7-9-11)14(17)12-4-3-5-13(12)16(19)15(18)21-2/h3-4,6-9,12-14,17,19H,5H2,1-2H3.
What are the key properties of methyl N-hydroxy-N-[2-[hydroxy-(4-methoxyphenyl)methyl]cyclopent-3-en-1-yl]carbamate?
methyl N-hydroxy-N-[2-[hydroxy-(4-methoxyphenyl)methyl]cyclopent-3-en-1-yl]carbamate has a molecular weight of 293.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-hydroxy-N-[2-[hydroxy-(4-methoxyphenyl)methyl]cyclopent-3-en-1-yl]carbamate is sourced from PubChem (CID 11087644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).