trans-(1R,2R)-2-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid

C20H21NO4 — CID 125119719

IUPACtrans-(1R,2R)-2-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1C(=O)NCc1ccccc1COCc1ccccc1
InChIInChI=1S/C20H21NO4/c22-19(17-10-18(17)20(23)24)21-11-15-8-4-5-9-16(15)13-25-12-14-6-2-1-3-7-14/h1-9,17-18H,10-13H2,(H,21,22)(H,23,24)/t17-,18-/m1/s1
InChIKeyLNBXJQFMZGAEKK-QZTJIDSGSA-N
MW339.39 g/mol
LogP2.74
Rot. Bonds8

About trans-(1R,2R)-2-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 125119719) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID125119719
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Nametrans-(1R,2R)-2-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1C(=O)NCc1ccccc1COCc1ccccc1
InChIInChI=1S/C20H21NO4/c22-19(17-10-18(17)20(23)24)21-11-15-8-4-5-9-16(15)13-25-12-14-6-2-1-3-7-14/h1-9,17-18H,10-13H2,(H,21,22)(H,23,24)/t17-,18-/m1/s1
InChIKeyLNBXJQFMZGAEKK-QZTJIDSGSA-N
XLogP2.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 51776902
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2-[(2-prop-2-enoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
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2-cyclopentylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 78884993
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CID 110894223
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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 125119719) is trans-(1R,2R)-2-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1C(=O)NCc1ccccc1COCc1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is LNBXJQFMZGAEKK-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H21NO4/c22-19(17-10-18(17)20(23)24)21-11-15-8-4-5-9-16(15)13-25-12-14-6-2-1-3-7-14/h1-9,17-18H,10-13H2,(H,21,22)(H,23,24)/t17-,18-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 125119719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).