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

C24H23NO5 — CID 59978681

IUPACcis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-2-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(Cc2ccc(O)c(Cc3ccc4ccccc4c3)c2)C[C@@H]1C(=O)NO
InChIInChI=1S/C24H23NO5/c1-30-23(28)24(14-20(24)22(27)25-29)13-16-7-9-21(26)19(12-16)11-15-6-8-17-4-2-3-5-18(17)10-15/h2-10,12,20,26,29H,11,13-14H2,1H3,(H,25,27)/t20-,24+/m1/s1
InChIKeyFMGIVMUNXGSCLT-YKSBVNFPSA-N
MW405.45 g/mol
LogP3.36
Rot. Bonds6

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

cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-2-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate (PubChem CID 59978681) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-2-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-2-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate
PubChem CID59978681
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Namecis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-2-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(Cc2ccc(O)c(Cc3ccc4ccccc4c3)c2)C[C@@H]1C(=O)NO
InChIInChI=1S/C24H23NO5/c1-30-23(28)24(14-20(24)22(27)25-29)13-16-7-9-21(26)19(12-16)11-15-6-8-17-4-2-3-5-18(17)10-15/h2-10,12,20,26,29H,11,13-14H2,1H3,(H,25,27)/t20-,24+/m1/s1
InChIKeyFMGIVMUNXGSCLT-YKSBVNFPSA-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-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-2-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate
CID 59978412
methyl 2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate
CID 20748809
ethyl (1R)-2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(1-naphthalen-1-ylethyl)phenyl]methyl]cyclopropane-1-carboxylate
CID 142258837
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-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-(3-methoxyphenoxy)phenyl]methyl]cyclopropane-1-carboxylate
CID 59978658
2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 20748512
cis-(1R,2S)-1-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 44581138
ethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate
CID 166441673
cis-(1S,2R)-2-methoxycarbonyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 24800832
cis-ethyl (1R,2S)-1-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 59978678

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-2-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-2-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate (CID 59978681) is cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-2-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-2-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-2-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate is COC(=O)[C@@]1(Cc2ccc(O)c(Cc3ccc4ccccc4c3)c2)C[C@@H]1C(=O)NO.
What is the InChIKey of cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-2-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate?
The InChIKey is FMGIVMUNXGSCLT-YKSBVNFPSA-N. The full InChI is InChI=1S/C24H23NO5/c1-30-23(28)24(14-20(24)22(27)25-29)13-16-7-9-21(26)19(12-16)11-15-6-8-17-4-2-3-5-18(17)10-15/h2-10,12,20,26,29H,11,13-14H2,1H3,(H,25,27)/t20-,24+/m1/s1.
What are the key properties of cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-2-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate?
cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-2-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 cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-2-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 59978681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).