3-(2-aminopropyl)-1H-indole-6-carboxylic acid

C12H14N2O2 — CID 23071145

IUPAC3-(2-aminopropyl)-1H-indole-6-carboxylic acid
SMILESCC(N)Cc1c[nH]c2cc(C(=O)O)ccc12
InChIInChI=1S/C12H14N2O2/c1-7(13)4-9-6-14-11-5-8(12(15)16)2-3-10(9)11/h2-3,5-7,14H,4,13H2,1H3,(H,15,16)
InChIKeyFSGSUEODEFIEFU-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.76
Rot. Bonds3

About 3-(2-aminopropyl)-1H-indole-6-carboxylic acid

3-(2-aminopropyl)-1H-indole-6-carboxylic acid (PubChem CID 23071145) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(2-aminopropyl)-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminopropyl)-1H-indole-6-carboxylic acid
PubChem CID23071145
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(2-aminopropyl)-1H-indole-6-carboxylic acid
SMILESCC(N)Cc1c[nH]c2cc(C(=O)O)ccc12
InChIInChI=1S/C12H14N2O2/c1-7(13)4-9-6-14-11-5-8(12(15)16)2-3-10(9)11/h2-3,5-7,14H,4,13H2,1H3,(H,15,16)
InChIKeyFSGSUEODEFIEFU-UHFFFAOYSA-N
XLogP1.76
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(propan-2-ylamino)methyl]-1H-indole-6-carboxylic acid
CID 117178714
3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid
CID 174209743
3-hexadecyl-1H-indole-6-carboxylic acid
CID 12797258
3-(2-amino-2-carboxyethyl)-1H-indole-5-carboxylic acid
CID 22669189
3-octyl-1H-indole-6-carboxylic acid
CID 12797257
1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 117067481
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate
CID 20768833
4-[(2R)-2-aminopropyl]-3-methylbenzoic acid
CID 91048329
3-[(2-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid
CID 117178684
2-amino-3-(6-propan-2-yl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 158407145
4-[(2R)-2-aminopropyl]-3-fluorobenzoic acid
CID 90925174

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropyl)-1H-indole-6-carboxylic acid?
The IUPAC name of 3-(2-aminopropyl)-1H-indole-6-carboxylic acid (CID 23071145) is 3-(2-aminopropyl)-1H-indole-6-carboxylic acid.
What is the SMILES notation for 3-(2-aminopropyl)-1H-indole-6-carboxylic acid?
The canonical SMILES for 3-(2-aminopropyl)-1H-indole-6-carboxylic acid is CC(N)Cc1c[nH]c2cc(C(=O)O)ccc12.
What is the InChIKey of 3-(2-aminopropyl)-1H-indole-6-carboxylic acid?
The InChIKey is FSGSUEODEFIEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7(13)4-9-6-14-11-5-8(12(15)16)2-3-10(9)11/h2-3,5-7,14H,4,13H2,1H3,(H,15,16).
What are the key properties of 3-(2-aminopropyl)-1H-indole-6-carboxylic acid?
3-(2-aminopropyl)-1H-indole-6-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)-1H-indole-6-carboxylic acid is sourced from PubChem (CID 23071145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).