methyl (2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate

C19H17ClN2O3 — CID 10546217

IUPACmethyl (2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H17ClN2O3/c1-25-19(24)17(9-12-5-3-2-4-6-12)22-18(23)16-11-13-10-14(20)7-8-15(13)21-16/h2-8,10-11,17,21H,9H2,1H3,(H,22,23)/t17-/m0/s1
InChIKeyZTZJQNGSFIEXCG-KRWDZBQOSA-N
MW356.81 g/mol
LogP3.34
Rot. Bonds5

About methyl (2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate

methyl (2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate (PubChem CID 10546217) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is methyl (2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
PubChem CID10546217
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Namemethyl (2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H17ClN2O3/c1-25-19(24)17(9-12-5-3-2-4-6-12)22-18(23)16-11-13-10-14(20)7-8-15(13)21-16/h2-8,10-11,17,21H,9H2,1H3,(H,22,23)/t17-/m0/s1
InChIKeyZTZJQNGSFIEXCG-KRWDZBQOSA-N
XLogP3.34
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate (CID 10546217) is methyl (2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of methyl (2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate?
The InChIKey is ZTZJQNGSFIEXCG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-25-19(24)17(9-12-5-3-2-4-6-12)22-18(23)16-11-13-10-14(20)7-8-15(13)21-16/h2-8,10-11,17,21H,9H2,1H3,(H,22,23)/t17-/m0/s1.
What are the key properties of methyl (2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate?
methyl (2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate has a molecular weight of 356.81 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 10546217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).