methyl (3R)-3-amino-3-(1H-indol-7-yl)propanoate

C12H14N2O2 — CID 165356161

IUPACmethyl (3R)-3-amino-3-(1H-indol-7-yl)propanoate
SMILESCOC(=O)C[C@@H](N)c1cccc2cc[nH]c12
InChIInChI=1S/C12H14N2O2/c1-16-11(15)7-10(13)9-4-2-3-8-5-6-14-12(8)9/h2-6,10,14H,7,13H2,1H3/t10-/m1/s1
InChIKeyGJPZQYSWPXAXAI-SNVBAGLBSA-N
MW218.26 g/mol
LogP1.73
Rot. Bonds3

About methyl (3R)-3-amino-3-(1H-indol-7-yl)propanoate

methyl (3R)-3-amino-3-(1H-indol-7-yl)propanoate (PubChem CID 165356161) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(1H-indol-7-yl)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(1H-indol-7-yl)propanoate
PubChem CID165356161
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Namemethyl (3R)-3-amino-3-(1H-indol-7-yl)propanoate
SMILESCOC(=O)C[C@@H](N)c1cccc2cc[nH]c12
InChIInChI=1S/C12H14N2O2/c1-16-11(15)7-10(13)9-4-2-3-8-5-6-14-12(8)9/h2-6,10,14H,7,13H2,1H3/t10-/m1/s1
InChIKeyGJPZQYSWPXAXAI-SNVBAGLBSA-N
XLogP1.73
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(1H-indol-7-yl)propan-1-amine
CID 55254624
4-amino-4-(1H-indol-7-yl)butanoic acid
CID 82614845
1-amino-1-(1H-indol-7-yl)propan-2-one
CID 55270531
methyl (3S)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride
CID 171243191
methyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride
CID 171249924
(3S)-3-(1H-indol-7-yl)butanoic acid
CID 96762196
methyl 3-amino-3-(2,3-difluorophenyl)propanoate
CID 63668898
1-(1H-indol-7-yl)ethanamine
CID 68767780
methyl 3-amino-3-(1H-pyrrol-2-yl)propanoate
CID 116940134
methyl (3R)-3-amino-3-(3-fluoro-2-methylphenyl)propanoate;hydrochloride
CID 171247663
methyl (3R)-3-amino-3-(2,3-dimethoxyphenyl)propanoate
CID 7175981
methyl (3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate;hydrochloride
CID 171243705

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(1H-indol-7-yl)propanoate?
The IUPAC name of methyl (3R)-3-amino-3-(1H-indol-7-yl)propanoate (CID 165356161) is methyl (3R)-3-amino-3-(1H-indol-7-yl)propanoate.
What is the SMILES notation for methyl (3R)-3-amino-3-(1H-indol-7-yl)propanoate?
The canonical SMILES for methyl (3R)-3-amino-3-(1H-indol-7-yl)propanoate is COC(=O)C[C@@H](N)c1cccc2cc[nH]c12.
What is the InChIKey of methyl (3R)-3-amino-3-(1H-indol-7-yl)propanoate?
The InChIKey is GJPZQYSWPXAXAI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-16-11(15)7-10(13)9-4-2-3-8-5-6-14-12(8)9/h2-6,10,14H,7,13H2,1H3/t10-/m1/s1.
What are the key properties of methyl (3R)-3-amino-3-(1H-indol-7-yl)propanoate?
methyl (3R)-3-amino-3-(1H-indol-7-yl)propanoate has a molecular weight of 218.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-(1H-indol-7-yl)propanoate is sourced from PubChem (CID 165356161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).