methyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate

C14H18N2O2 — CID 62332433

IUPACmethyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCc1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O2/c1-14(2,13(17)18-3)16-9-10-8-15-12-7-5-4-6-11(10)12/h4-8,15-16H,9H2,1-3H3
InChIKeyAMZKUJWJKFKHGL-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.21
Rot. Bonds4

About methyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate

methyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate (PubChem CID 62332433) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate
PubChem CID62332433
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Namemethyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCc1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O2/c1-14(2,13(17)18-3)16-9-10-8-15-12-7-5-4-6-11(10)12/h4-8,15-16H,9H2,1-3H3
InChIKeyAMZKUJWJKFKHGL-UHFFFAOYSA-N
XLogP2.21
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-amino-3-(1H-indol-3-yl)-2-(111C)methylpropanoate
CID 14066612
2-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 115661182
methyl (2S)-2-amino-2-(deuteriomethyl)-3-(1H-indol-3-yl)propanoate
CID 57296369
dimethyl 2-[3-(1H-indol-3-yl)propyl]-2-iodopropanedioate
CID 146165215
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide
CID 113086281
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide
CID 103617257
methyl (2S)-3-(1H-indol-3-yl)-2-methyl-2-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22838883
methyl 3-(1H-indol-3-ylamino)-2,2-dimethylpropanoate
CID 115233577
2-(1H-indol-3-yl)-N-(3-methoxycyclobutyl)acetamide
CID 104578428
2-(4-bromophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine
CID 62330459
N-(1-amino-2-methylpropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 55163528

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate?
The IUPAC name of methyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate (CID 62332433) is methyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate?
The canonical SMILES for methyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate is COC(=O)C(C)(C)NCc1c[nH]c2ccccc12.
What is the InChIKey of methyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate?
The InChIKey is AMZKUJWJKFKHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2,13(17)18-3)16-9-10-8-15-12-7-5-4-6-11(10)12/h4-8,15-16H,9H2,1-3H3.
What are the key properties of methyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate?
methyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate has a molecular weight of 246.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate is sourced from PubChem (CID 62332433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).