2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid

C12H14N2O2 — CID 115171128

IUPAC2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
SMILESCc1[nH]c2ccccc2c1CCNC(=O)O
InChIInChI=1S/C12H14N2O2/c1-8-9(6-7-13-12(15)16)10-4-2-3-5-11(10)14-8/h2-5,13-14H,6-7H2,1H3,(H,15,16)
InChIKeyFLEJEQHMFZGSPB-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.29
Rot. Bonds3

About 2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid

2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid (PubChem CID 115171128) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
PubChem CID115171128
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
SMILESCc1[nH]c2ccccc2c1CCNC(=O)O
InChIInChI=1S/C12H14N2O2/c1-8-9(6-7-13-12(15)16)10-4-2-3-5-11(10)14-8/h2-5,13-14H,6-7H2,1H3,(H,15,16)
InChIKeyFLEJEQHMFZGSPB-UHFFFAOYSA-N
XLogP2.29
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
CID 110775881
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115173271
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
2-(ethylamino)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115158041
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium
CID 148932122
6-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 3273445
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid (CID 115171128) is 2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid is Cc1[nH]c2ccccc2c1CCNC(=O)O.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid?
The InChIKey is FLEJEQHMFZGSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-9(6-7-13-12(15)16)10-4-2-3-5-11(10)14-8/h2-5,13-14H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid?
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid has a molecular weight of 218.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid is sourced from PubChem (CID 115171128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).