dimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate

C20H19NO5 — CID 1010270

IUPACdimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1
InChIInChI=1S/C20H19NO5/c1-25-19(23)13-8-9-14(20(24)26-2)17(10-13)21-18(22)16-11-15(16)12-6-4-3-5-7-12/h3-10,15-16H,11H2,1-2H3,(H,21,22)/t15-,16-/m1/s1
InChIKeyZQUXMWYFPGSTDX-HZPDHXFCSA-N
MW353.37 g/mol
LogP3.00
Rot. Bonds5

About dimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate (PubChem CID 1010270) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is dimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate
PubChem CID1010270
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Namedimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1
InChIInChI=1S/C20H19NO5/c1-25-19(23)13-8-9-14(20(24)26-2)17(10-13)21-18(22)16-11-15(16)12-6-4-3-5-7-12/h3-10,15-16H,11H2,1-2H3,(H,21,22)/t15-,16-/m1/s1
InChIKeyZQUXMWYFPGSTDX-HZPDHXFCSA-N
XLogP3.00
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze dimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate with MolForge

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Related Compounds

(1R,6R)-6-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1294511
methyl 4-chloro-3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
CID 84569184
N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 3698096
cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 86857978
2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid
CID 7209741
2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60941976
methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143863
dimethyl 2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 1090616
methyl 4-chloro-3-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]benzoate
CID 86851547
methyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate
CID 165134483
N-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]benzamide
CID 110606701

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate (CID 1010270) is dimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1.
What is the InChIKey of dimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate?
The InChIKey is ZQUXMWYFPGSTDX-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H19NO5/c1-25-19(23)13-8-9-14(20(24)26-2)17(10-13)21-18(22)16-11-15(16)12-6-4-3-5-7-12/h3-10,15-16H,11H2,1-2H3,(H,21,22)/t15-,16-/m1/s1.
What are the key properties of dimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate?
dimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate has a molecular weight of 353.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 1010270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).