1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid

C12H14N2O3 — CID 22014780

IUPAC1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid
SMILESCC(Cc1c[nH]c2c(O)cccc12)NC(=O)O
InChIInChI=1S/C12H14N2O3/c1-7(14-12(16)17)5-8-6-13-11-9(8)3-2-4-10(11)15/h2-4,6-7,13-15H,5H2,1H3,(H,16,17)
InChIKeyOIYAMKQWIAMQPH-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.07
Rot. Bonds3

About 1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid

1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid (PubChem CID 22014780) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid.

Molecular Properties

Compound Name1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid
PubChem CID22014780
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid
SMILESCC(Cc1c[nH]c2c(O)cccc12)NC(=O)O
InChIInChI=1S/C12H14N2O3/c1-7(14-12(16)17)5-8-6-13-11-9(8)3-2-4-10(11)15/h2-4,6-7,13-15H,5H2,1H3,(H,16,17)
InChIKeyOIYAMKQWIAMQPH-UHFFFAOYSA-N
XLogP2.07
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid
CID 153346441
[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 119225264
9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate
CID 168915644
[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-(7-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]-trimethylazanium
CID 11812385
benzyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate
CID 139809915
tert-butyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate
CID 12045561
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
CID 53348431

Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid?
The IUPAC name of 1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid (CID 22014780) is 1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid.
What is the SMILES notation for 1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid?
The canonical SMILES for 1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid is CC(Cc1c[nH]c2c(O)cccc12)NC(=O)O.
What is the InChIKey of 1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid?
The InChIKey is OIYAMKQWIAMQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(14-12(16)17)5-8-6-13-11-9(8)3-2-4-10(11)15/h2-4,6-7,13-15H,5H2,1H3,(H,16,17).
What are the key properties of 1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid?
1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid has a molecular weight of 234.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid is sourced from PubChem (CID 22014780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).