methyl 2-amino-3-(1-benzylindol-3-yl)propanoate

C19H20N2O2 — CID 14659443

IUPACmethyl 2-amino-3-(1-benzylindol-3-yl)propanoate
SMILESCOC(=O)C(N)Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H20N2O2/c1-23-19(22)17(20)11-15-13-21(12-14-7-3-2-4-8-14)18-10-6-5-9-16(15)18/h2-10,13,17H,11-12,20H2,1H3
InChIKeyHGLYUTGPOMYFQT-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.73
Rot. Bonds5

About methyl 2-amino-3-(1-benzylindol-3-yl)propanoate

methyl 2-amino-3-(1-benzylindol-3-yl)propanoate (PubChem CID 14659443) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl 2-amino-3-(1-benzylindol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(1-benzylindol-3-yl)propanoate
PubChem CID14659443
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Namemethyl 2-amino-3-(1-benzylindol-3-yl)propanoate
SMILESCOC(=O)C(N)Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H20N2O2/c1-23-19(22)17(20)11-15-13-21(12-14-7-3-2-4-8-14)18-10-6-5-9-16(15)18/h2-10,13,17H,11-12,20H2,1H3
InChIKeyHGLYUTGPOMYFQT-UHFFFAOYSA-N
XLogP2.73
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

chloro (2S)-2-amino-3-[1-[(3-methoxyphenyl)methyl]indol-3-yl]propanoate
CID 68812855
1-(1-benzylindol-3-yl)propan-2-amine
CID 3137663
(2S)-2-amino-3-[1-[(3-methoxyphenyl)methyl]indol-3-yl]propanoic acid
CID 91073519
methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
CID 135031870
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553
(2S)-2-amino-3-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]propanoic acid
CID 68815263
3-(1-benzylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 20780794
tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)indole-1-carboxylate
CID 11267120
methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate
CID 170891361
(2S)-2-(methylamino)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanoic acid
CID 68812969
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
methyl 2-[(1-benzylindol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetate
CID 57248001

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(1-benzylindol-3-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(1-benzylindol-3-yl)propanoate (CID 14659443) is methyl 2-amino-3-(1-benzylindol-3-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(1-benzylindol-3-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(1-benzylindol-3-yl)propanoate is COC(=O)C(N)Cc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of methyl 2-amino-3-(1-benzylindol-3-yl)propanoate?
The InChIKey is HGLYUTGPOMYFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-23-19(22)17(20)11-15-13-21(12-14-7-3-2-4-8-14)18-10-6-5-9-16(15)18/h2-10,13,17H,11-12,20H2,1H3.
What are the key properties of methyl 2-amino-3-(1-benzylindol-3-yl)propanoate?
methyl 2-amino-3-(1-benzylindol-3-yl)propanoate has a molecular weight of 308.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(1-benzylindol-3-yl)propanoate is sourced from PubChem (CID 14659443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).