methyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate

C14H20N2O2 — CID 170884528

IUPACmethyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate
SMILESCCN1CCc2cc(CC(N)C(=O)OC)ccc21
InChIInChI=1S/C14H20N2O2/c1-3-16-7-6-11-8-10(4-5-13(11)16)9-12(15)14(17)18-2/h4-5,8,12H,3,6-7,9,15H2,1-2H3
InChIKeyIJWGLHRCSGINBP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.11
Rot. Bonds4

About methyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate

methyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate (PubChem CID 170884528) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate
PubChem CID170884528
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate
SMILESCCN1CCc2cc(CC(N)C(=O)OC)ccc21
InChIInChI=1S/C14H20N2O2/c1-3-16-7-6-11-8-10(4-5-13(11)16)9-12(15)14(17)18-2/h4-5,8,12H,3,6-7,9,15H2,1-2H3
InChIKeyIJWGLHRCSGINBP-UHFFFAOYSA-N
XLogP1.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate
CID 170884527
(2S)-2-amino-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid
CID 66512358
2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid
CID 170880224
methyl 2-amino-3-(3-butan-2-yl-4-morpholin-4-ylphenyl)propanoate
CID 170884279
methyl 2-amino-3-(3-amino-4-hydroxyphenyl)propanoate
CID 86019498
methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate
CID 145416225
methyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate
CID 77391788
2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid
CID 170880165
1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone
CID 82255283
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propyl-2,3-dihydroindol-5-yl)propanoic acid
CID 170881630
methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 68772138
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate (CID 170884528) is methyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate is CCN1CCc2cc(CC(N)C(=O)OC)ccc21.
What is the InChIKey of methyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate?
The InChIKey is IJWGLHRCSGINBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-16-7-6-11-8-10(4-5-13(11)16)9-12(15)14(17)18-2/h4-5,8,12H,3,6-7,9,15H2,1-2H3.
What are the key properties of methyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate?
methyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate has a molecular weight of 248.33 g/mol, XLogP of 1.11, 4 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-ethyl-2,3-dihydroindol-5-yl)propanoate is sourced from PubChem (CID 170884528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).