methyl (2R)-2-[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate

C22H20Cl2N2O3 — CID 154832535

IUPACmethyl (2R)-2-[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate
SMILESCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H20Cl2N2O3/c1-29-22(28)20(8-12-11-25-19-5-3-2-4-14(12)19)26-21(27)17-10-16(17)15-7-6-13(23)9-18(15)24/h2-7,9,11,16-17,20,25H,8,10H2,1H3,(H,26,27)/t16?,17?,20-/m1/s1
InChIKeyKYUJICVAWDDCGH-LBXVMSDZSA-N
MW431.32 g/mol
LogP4.48
Rot. Bonds6

About methyl (2R)-2-[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate

methyl (2R)-2-[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate (PubChem CID 154832535) has the molecular formula C22H20Cl2N2O3 and a molecular weight of 431.32 g/mol. Its IUPAC name is methyl (2R)-2-[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate
PubChem CID154832535
Molecular FormulaC22H20Cl2N2O3
Molecular Weight431.32 g/mol
Exact Mass430.09
IUPAC Namemethyl (2R)-2-[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate
SMILESCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H20Cl2N2O3/c1-29-22(28)20(8-12-11-25-19-5-3-2-4-14(12)19)26-21(27)17-10-16(17)15-7-6-13(23)9-18(15)24/h2-7,9,11,16-17,20,25H,8,10H2,1H3,(H,26,27)/t16?,17?,20-/m1/s1
InChIKeyKYUJICVAWDDCGH-LBXVMSDZSA-N
XLogP4.48
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-2-[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate with MolForge

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Related Compounds

methyl 2-[(2,4-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 3111811
methyl 2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 75130384
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 40819780
methyl (2S)-3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate
CID 7018187
3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 84569182
methyl (2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 9229575
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]azanium
CID 8599132
methyl (2R)-2-[[2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 6597897
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate
CID 131873978
methyl (2R)-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanoate
CID 1240851
methyl (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoate
CID 10988127
methyl (2R)-2-[[2-(cyclohexanecarbonylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoate
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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate?
The IUPAC name of methyl (2R)-2-[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate (CID 154832535) is methyl (2R)-2-[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate?
The canonical SMILES for methyl (2R)-2-[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate is COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CC1c1ccc(Cl)cc1Cl.
What is the InChIKey of methyl (2R)-2-[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate?
The InChIKey is KYUJICVAWDDCGH-LBXVMSDZSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3/c1-29-22(28)20(8-12-11-25-19-5-3-2-4-14(12)19)26-21(27)17-10-16(17)15-7-6-13(23)9-18(15)24/h2-7,9,11,16-17,20,25H,8,10H2,1H3,(H,26,27)/t16?,17?,20-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate?
methyl (2R)-2-[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate has a molecular weight of 431.32 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 154832535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).