2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid

C14H18N2O2 — CID 115218163

IUPAC2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid
SMILESCC(C)(CNCC(=O)O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O2/c1-14(2,9-15-8-13(17)18)11-7-16-12-6-4-3-5-10(11)12/h3-7,15-16H,8-9H2,1-2H3,(H,17,18)
InChIKeyHFLBLSHJGFDSOP-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.12
Rot. Bonds5

About 2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid

2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid (PubChem CID 115218163) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid
PubChem CID115218163
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid
SMILESCC(C)(CNCC(=O)O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O2/c1-14(2,9-15-8-13(17)18)11-7-16-12-6-4-3-5-10(11)12/h3-7,15-16H,8-9H2,1-2H3,(H,17,18)
InChIKeyHFLBLSHJGFDSOP-UHFFFAOYSA-N
XLogP2.12
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic 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

[2-(1H-indol-3-yl)-2-methylpropyl]urea
CID 115168791
N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044
N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195611
2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol
CID 115121040
3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 115153153
1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea
CID 113084112
N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 113084102
2-(1H-indol-3-yl)-2-methylpropanedioic acid
CID 70075508
N-[2-(1H-indol-3-yl)-2-methylpropyl]cyclohexanecarboxamide
CID 113084050
3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole
CID 113084118
2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide
CID 113084108
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile
CID 115130659

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid?
The IUPAC name of 2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid (CID 115218163) is 2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid is CC(C)(CNCC(=O)O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid?
The InChIKey is HFLBLSHJGFDSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2,9-15-8-13(17)18)11-7-16-12-6-4-3-5-10(11)12/h3-7,15-16H,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid?
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid has a molecular weight of 246.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid is sourced from PubChem (CID 115218163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).