(2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid

C14H18N2O2 — CID 175558503

IUPAC(2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid
SMILESCCN(C)[C@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C14H18N2O2/c1-3-16(2)13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,3,8H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyKTWCOLFEMLJVBU-CYBMUJFWSA-N
MW246.31 g/mol
LogP2.12
Rot. Bonds5

About (2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid

(2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid (PubChem CID 175558503) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid
PubChem CID175558503
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid
SMILESCCN(C)[C@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C14H18N2O2/c1-3-16(2)13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,3,8H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyKTWCOLFEMLJVBU-CYBMUJFWSA-N
XLogP2.12
TPSA56.33 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[di(propanoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 11845681
(2S)-2-[amino(methoxy)amino]-3-(1H-indol-3-yl)propanoic acid
CID 88542339
2-[acetyl(1H-indol-3-ylmethyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 51362594
(2S)-2-[acetyl(tert-butyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 90882540
(2S)-2-[amino-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 141473656
azane;(2S)-3-(1H-indol-3-yl)-2-[nitro(phenylsulfanyl)amino]propanoic acid
CID 87828836
(2S)-3-(1H-indol-3-yl)-2-methylsulfanylpropanoic acid
CID 167000700
(2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 175089869
[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium
CID 5460842
2-[bis(2-acetyloxybenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 141149852
(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-methylamino]hexanoic acid
CID 175775573
(2R)-2-ethylsulfanyl-3-(1H-indol-3-yl)propanoic acid
CID 163253670

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid?
The IUPAC name of (2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid (CID 175558503) is (2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid.
What is the SMILES notation for (2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid?
The canonical SMILES for (2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid is CCN(C)[C@H](Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of (2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid?
The InChIKey is KTWCOLFEMLJVBU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-16(2)13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,3,8H2,1-2H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid?
(2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid has a molecular weight of 246.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 175558503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).