methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate

C19H20N2O3 — CID 94003873

IUPACmethyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate
SMILESCOC(=O)[C@@H](N)Cc1c[nH]c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C19H20N2O3/c1-23-19(22)17(20)9-14-11-21-18-10-15(7-8-16(14)18)24-12-13-5-3-2-4-6-13/h2-8,10-11,17,21H,9,12,20H2,1H3/t17-/m0/s1
InChIKeyPFVFGQWQOSCQCX-KRWDZBQOSA-N
MW324.38 g/mol
LogP2.79
Rot. Bonds6

About methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate

methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate (PubChem CID 94003873) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate
PubChem CID94003873
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namemethyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate
SMILESCOC(=O)[C@@H](N)Cc1c[nH]c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C19H20N2O3/c1-23-19(22)17(20)9-14-11-21-18-10-15(7-8-16(14)18)24-12-13-5-3-2-4-6-13/h2-8,10-11,17,21H,9,12,20H2,1H3/t17-/m0/s1
InChIKeyPFVFGQWQOSCQCX-KRWDZBQOSA-N
XLogP2.79
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-[(2S)-2-amino-2-carboxyethyl]-1H-indol-6-yl]oxymethyl]benzoic acid
CID 141111663
methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate
CID 20768833
8-(4-phenylmethoxyphenoxy)octyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 16720427
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 129363588
3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid
CID 175217287
methyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate
CID 123770984
benzyl 2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
CID 3084617
benzyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
CID 44629900
methyl 2-amino-3-[6-(trifluoromethyl)-1H-indol-3-yl]propanoate
CID 166609475
tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate
CID 21071678
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 22309446

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate?
The IUPAC name of methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate (CID 94003873) is methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate?
The canonical SMILES for methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate is COC(=O)[C@@H](N)Cc1c[nH]c2cc(OCc3ccccc3)ccc12.
What is the InChIKey of methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate?
The InChIKey is PFVFGQWQOSCQCX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-19(22)17(20)9-14-11-21-18-10-15(7-8-16(14)18)24-12-13-5-3-2-4-6-13/h2-8,10-11,17,21H,9,12,20H2,1H3/t17-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate?
methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate has a molecular weight of 324.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate is sourced from PubChem (CID 94003873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).