2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid

C12H14N2O3 — CID 70391610

IUPAC2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid
SMILESO=C(O)NCCc1c[nH]c2ccc(CO)cc12
InChIInChI=1S/C12H14N2O3/c15-7-8-1-2-11-10(5-8)9(6-14-11)3-4-13-12(16)17/h1-2,5-6,13-15H,3-4,7H2,(H,16,17)
InChIKeyGTDDNSHHWJRWHY-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.47
Rot. Bonds4

About 2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid

2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid (PubChem CID 70391610) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid
PubChem CID70391610
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid
SMILESO=C(O)NCCc1c[nH]c2ccc(CO)cc12
InChIInChI=1S/C12H14N2O3/c15-7-8-1-2-11-10(5-8)9(6-14-11)3-4-13-12(16)17/h1-2,5-6,13-15H,3-4,7H2,(H,16,17)
InChIKeyGTDDNSHHWJRWHY-UHFFFAOYSA-N
XLogP1.47
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol
CID 118042200
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)benzamide
CID 167764059
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 69217510
2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid
CID 14181017
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
2-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide
CID 175502809
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111508552

Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid?
The IUPAC name of 2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid (CID 70391610) is 2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid?
The canonical SMILES for 2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid is O=C(O)NCCc1c[nH]c2ccc(CO)cc12.
What is the InChIKey of 2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid?
The InChIKey is GTDDNSHHWJRWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-7-8-1-2-11-10(5-8)9(6-14-11)3-4-13-12(16)17/h1-2,5-6,13-15H,3-4,7H2,(H,16,17).
What are the key properties of 2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid?
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid has a molecular weight of 234.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid is sourced from PubChem (CID 70391610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).