1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid

C14H18N2O3 — CID 83945440

IUPAC1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid
SMILESCC(O)c1cn(CCCN)c2c(C(=O)O)cccc12
InChIInChI=1S/C14H18N2O3/c1-9(17)12-8-16(7-3-6-15)13-10(12)4-2-5-11(13)14(18)19/h2,4-5,8-9,17H,3,6-7,15H2,1H3,(H,18,19)
InChIKeyDZDBCWQPVJGCQT-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.74
Rot. Bonds5

About 1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid

1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid (PubChem CID 83945440) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid
PubChem CID83945440
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid
SMILESCC(O)c1cn(CCCN)c2c(C(=O)O)cccc12
InChIInChI=1S/C14H18N2O3/c1-9(17)12-8-16(7-3-6-15)13-10(12)4-2-5-11(13)14(18)19/h2,4-5,8-9,17H,3,6-7,15H2,1H3,(H,18,19)
InChIKeyDZDBCWQPVJGCQT-UHFFFAOYSA-N
XLogP1.74
TPSA88.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-aminopropyl)-1-(3-hydroxypropyl)indole-7-carboxylic acid
CID 83945437
1-(2-aminoethyl)-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid
CID 83946424
1,3-bis(2-aminoethyl)indole-7-carboxylic acid
CID 83945459
1-(3-aminopropyl)-5-tert-butyl-3-propan-2-ylindole-7-carboxylic acid
CID 83945547
1-(2-aminoethyl)-3-(1-hydroxyethyl)-2-methylindole-7-carboxylic acid
CID 83963675
1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol
CID 83944930
1,3-di(propan-2-yl)indole-7-carboxylic acid
CID 83945414
1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid
CID 83946012
1-(3-aminopropyl)-3-methylindole-4-carboxylic acid
CID 83945721
1-(3-aminopropyl)-5-methyl-3-propan-2-ylindole-6-carboxylic acid
CID 83963567
1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid
CID 83963664
1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol
CID 83944817

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid?
The IUPAC name of 1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid (CID 83945440) is 1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid.
What is the SMILES notation for 1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid?
The canonical SMILES for 1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid is CC(O)c1cn(CCCN)c2c(C(=O)O)cccc12.
What is the InChIKey of 1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid?
The InChIKey is DZDBCWQPVJGCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(17)12-8-16(7-3-6-15)13-10(12)4-2-5-11(13)14(18)19/h2,4-5,8-9,17H,3,6-7,15H2,1H3,(H,18,19).
What are the key properties of 1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid?
1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid is sourced from PubChem (CID 83945440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).