methyl 2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate

C24H23NO5 — CID 20748809

IUPACmethyl 2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Cc2ccc(O)c(Cc3cccc4ccccc34)c2)CC1C(=O)NO
InChIInChI=1S/C24H23NO5/c1-30-23(28)24(14-20(24)22(27)25-29)13-15-9-10-21(26)18(11-15)12-17-7-4-6-16-5-2-3-8-19(16)17/h2-11,20,26,29H,12-14H2,1H3,(H,25,27)
InChIKeyFZPRBGARSIVFGC-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.36
Rot. Bonds6

About methyl 2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate

methyl 2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate (PubChem CID 20748809) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is methyl 2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate
PubChem CID20748809
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Namemethyl 2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Cc2ccc(O)c(Cc3cccc4ccccc34)c2)CC1C(=O)NO
InChIInChI=1S/C24H23NO5/c1-30-23(28)24(14-20(24)22(27)25-29)13-15-9-10-21(26)18(11-15)12-17-7-4-6-16-5-2-3-8-19(16)17/h2-11,20,26,29H,12-14H2,1H3,(H,25,27)
InChIKeyFZPRBGARSIVFGC-UHFFFAOYSA-N
XLogP3.36
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-2-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate
CID 59978681
cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-2-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate
CID 59978412
ethyl (1R)-2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(1-naphthalen-1-ylethyl)phenyl]methyl]cyclopropane-1-carboxylate
CID 142258837
methyl 1-[[3-fluoro-4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 20748744
cis-methyl (1R,2S)-1-[[3-fluoro-4-[(2-morpholin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 59978398
methyl 1-[[4-[(3,5-dichlorophenyl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 20748756
methyl 1-[[4-(cyclohexylmethoxy)phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 20748765
methyl 2-(hydroxycarbamoyl)-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxylate
CID 20748808
cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxylate
CID 59978369
1-[[3-fluoro-4-[[2-(methylamino)quinolin-4-yl]methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 20748487
cis-(1R,2S)-1-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 44581138
cis-(1R,2S)-1-N-tert-butyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
CID 59978422

Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate (CID 20748809) is methyl 2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate is COC(=O)C1(Cc2ccc(O)c(Cc3cccc4ccccc34)c2)CC1C(=O)NO.
What is the InChIKey of methyl 2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate?
The InChIKey is FZPRBGARSIVFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-30-23(28)24(14-20(24)22(27)25-29)13-15-9-10-21(26)18(11-15)12-17-7-4-6-16-5-2-3-8-19(16)17/h2-11,20,26,29H,12-14H2,1H3,(H,25,27).
What are the key properties of methyl 2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate?
methyl 2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate has a molecular weight of 405.45 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 20748809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).