(2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid

C15H18N2O3 — CID 119244285

IUPAC(2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid
SMILESCCn1cc(CC(=O)N[C@H](C)C(=O)O)c2ccccc21
InChIInChI=1S/C15H18N2O3/c1-3-17-9-11(12-6-4-5-7-13(12)17)8-14(18)16-10(2)15(19)20/h4-7,9-10H,3,8H2,1-2H3,(H,16,18)(H,19,20)/t10-/m1/s1
InChIKeyNZENKNLQGHYVAF-SNVBAGLBSA-N
MW274.32 g/mol
LogP1.79
Rot. Bonds5

About (2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid

(2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid (PubChem CID 119244285) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid
PubChem CID119244285
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid
SMILESCCn1cc(CC(=O)N[C@H](C)C(=O)O)c2ccccc21
InChIInChI=1S/C15H18N2O3/c1-3-17-9-11(12-6-4-5-7-13(12)17)8-14(18)16-10(2)15(19)20/h4-7,9-10H,3,8H2,1-2H3,(H,16,18)(H,19,20)/t10-/m1/s1
InChIKeyNZENKNLQGHYVAF-SNVBAGLBSA-N
XLogP1.79
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119218961
2-(1-ethylindol-3-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]acetamide
CID 71846285
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
N-butan-2-yl-4-(1-ethylindol-3-yl)butanamide
CID 22522937
3-[(1-ethylindol-3-yl)methyl-methylamino]-2-methylpropanoic acid
CID 65067537
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553
(2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122107924
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
(2S)-2-(1-ethylindol-3-yl)butanedioic acid
CID 1096245
acetic acid;1-ethylindol-3-ol
CID 71405602
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1-ethylindol-3-yl)acetamide
CID 71881201
2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696950

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid (CID 119244285) is (2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid is CCn1cc(CC(=O)N[C@H](C)C(=O)O)c2ccccc21.
What is the InChIKey of (2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is NZENKNLQGHYVAF-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-17-9-11(12-6-4-5-7-13(12)17)8-14(18)16-10(2)15(19)20/h4-7,9-10H,3,8H2,1-2H3,(H,16,18)(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid?
(2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid has a molecular weight of 274.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119244285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).