(1R)-3-(cyclopropylmethoxyiminomethyl)-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid

C24H27NO4 — CID 173438967

IUPAC(1R)-3-(cyclopropylmethoxyiminomethyl)-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C=NOCC2CC2)[C@@]1(Cc1cccc(Oc2ccccc2)c1)C(=O)O
InChIInChI=1S/C24H27NO4/c1-23(2)21(15-25-28-16-17-11-12-17)24(23,22(26)27)14-18-7-6-10-20(13-18)29-19-8-4-3-5-9-19/h3-10,13,15,17,21H,11-12,14,16H2,1-2H3,(H,26,27)/t21?,24-/m0/s1
InChIKeyBDWLNYJJLJIANV-FHZUCYEKSA-N
MW393.48 g/mol
LogP5.16
Rot. Bonds9

About (1R)-3-(cyclopropylmethoxyiminomethyl)-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid

(1R)-3-(cyclopropylmethoxyiminomethyl)-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 173438967) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is (1R)-3-(cyclopropylmethoxyiminomethyl)-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-3-(cyclopropylmethoxyiminomethyl)-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID173438967
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name(1R)-3-(cyclopropylmethoxyiminomethyl)-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C=NOCC2CC2)[C@@]1(Cc1cccc(Oc2ccccc2)c1)C(=O)O
InChIInChI=1S/C24H27NO4/c1-23(2)21(15-25-28-16-17-11-12-17)24(23,22(26)27)14-18-7-6-10-20(13-18)29-19-8-4-3-5-9-19/h3-10,13,15,17,21H,11-12,14,16H2,1-2H3,(H,26,27)/t21?,24-/m0/s1
InChIKeyBDWLNYJJLJIANV-FHZUCYEKSA-N
XLogP5.16
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1R)-3-(cyclopropylmethoxyiminomethyl)-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 18595466
cis-(3-phenoxyphenyl)methyl (1R,3R)-3-(cyclopropylmethoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88742789
3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 66646994
cis-(1R,3S)-3-[(2S)-3,3-dimethylaziridin-2-yl]-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 57346388
cis-(1R,3S)-3-[(2S)-3,3-dimethylaziridin-2-yl]-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 57346387
(4-fluoro-3-phenoxyphenyl)methyl 3-[(E)-cyclopropylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 88710022
trans-(1R,3R)-1-benzyl-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 174838115
(3-phenoxyphenyl)methyl 2-formyl-1-methylcyclopropane-1-carboxylate
CID 140969500
trans-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carbonitrile
CID 88740195
cis-(3-phenoxyphenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylpropoxyiminomethyl)cyclopropane-1-carboxylate
CID 54261640
2-(3-phenoxyphenyl)acetyl chloride
CID 12940116
2-cyano-2-(2,2-dichloroethenyl)-3,3-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 131698687

Frequently Asked Questions

What is the IUPAC name of (1R)-3-(cyclopropylmethoxyiminomethyl)-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of (1R)-3-(cyclopropylmethoxyiminomethyl)-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid (CID 173438967) is (1R)-3-(cyclopropylmethoxyiminomethyl)-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for (1R)-3-(cyclopropylmethoxyiminomethyl)-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for (1R)-3-(cyclopropylmethoxyiminomethyl)-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid is CC1(C)C(C=NOCC2CC2)[C@@]1(Cc1cccc(Oc2ccccc2)c1)C(=O)O.
What is the InChIKey of (1R)-3-(cyclopropylmethoxyiminomethyl)-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is BDWLNYJJLJIANV-FHZUCYEKSA-N. The full InChI is InChI=1S/C24H27NO4/c1-23(2)21(15-25-28-16-17-11-12-17)24(23,22(26)27)14-18-7-6-10-20(13-18)29-19-8-4-3-5-9-19/h3-10,13,15,17,21H,11-12,14,16H2,1-2H3,(H,26,27)/t21?,24-/m0/s1.
What are the key properties of (1R)-3-(cyclopropylmethoxyiminomethyl)-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid?
(1R)-3-(cyclopropylmethoxyiminomethyl)-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 393.48 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(cyclopropylmethoxyiminomethyl)-2,2-dimethyl-1-[(3-phenoxyphenyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 173438967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).