methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate

C14H18N2O2 — CID 170891361

IUPACmethyl 2-[3-(2-aminopropyl)indol-1-yl]acetate
SMILESCOC(=O)Cn1cc(CC(C)N)c2ccccc21
InChIInChI=1S/C14H18N2O2/c1-10(15)7-11-8-16(9-14(17)18-2)13-6-4-3-5-12(11)13/h3-6,8,10H,7,9,15H2,1-2H3
InChIKeySMMKLTLUAQVBBL-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.70
Rot. Bonds4

About methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate

methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate (PubChem CID 170891361) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-aminopropyl)indol-1-yl]acetate
PubChem CID170891361
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Namemethyl 2-[3-(2-aminopropyl)indol-1-yl]acetate
SMILESCOC(=O)Cn1cc(CC(C)N)c2ccccc21
InChIInChI=1S/C14H18N2O2/c1-10(15)7-11-8-16(9-14(17)18-2)13-6-4-3-5-12(11)13/h3-6,8,10H,7,9,15H2,1-2H3
InChIKeySMMKLTLUAQVBBL-UHFFFAOYSA-N
XLogP1.70
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-aminopropyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 170891339
2-[3-(2-aminopropyl)indol-1-yl]-1-(azepan-1-yl)ethanone
CID 165344030
1-(1-ethylindol-3-yl)propan-2-amine
CID 6484661
methyl 2-(3-chloroindol-1-yl)acetate
CID 62805557
1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine
CID 66404648
1-(1-benzylindol-3-yl)propan-2-amine
CID 3137663
ethyl 2-(3-ethylindol-1-yl)acetate
CID 59177495
amino 3-[(2R)-2-aminopropyl]indole-1-carboxylate
CID 57120614
(2-aminoacetyl) 3-[(2R)-2-aminopropyl]indole-1-carboxylate
CID 173274623
methyl 2-amino-3-(1-benzylindol-3-yl)propanoate
CID 14659443
1-[1-(2-ethylsulfonylethyl)indol-3-yl]propan-2-amine
CID 66406061
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(2-methoxy-2-oxoethyl)indol-3-yl]propanoic acid
CID 170110262

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate?
The IUPAC name of methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate (CID 170891361) is methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate is COC(=O)Cn1cc(CC(C)N)c2ccccc21.
What is the InChIKey of methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate?
The InChIKey is SMMKLTLUAQVBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(15)7-11-8-16(9-14(17)18-2)13-6-4-3-5-12(11)13/h3-6,8,10H,7,9,15H2,1-2H3.
What are the key properties of methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate?
methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate has a molecular weight of 246.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate is sourced from PubChem (CID 170891361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).