2-[butan-2-yl-[1-(2-methoxyethyl)indole-3-carbonyl]amino]acetic acid

C18H24N2O4 — CID 119954915

IUPAC2-[butan-2-yl-[1-(2-methoxyethyl)indole-3-carbonyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cn(CCOC)c2ccccc12
InChIInChI=1S/C18H24N2O4/c1-4-13(2)20(12-17(21)22)18(23)15-11-19(9-10-24-3)16-8-6-5-7-14(15)16/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,21,22)
InChIKeyAMNCYQOMOYJFSV-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.61
Rot. Bonds8

About 2-[butan-2-yl-[1-(2-methoxyethyl)indole-3-carbonyl]amino]acetic acid

2-[butan-2-yl-[1-(2-methoxyethyl)indole-3-carbonyl]amino]acetic acid (PubChem CID 119954915) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[butan-2-yl-[1-(2-methoxyethyl)indole-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[1-(2-methoxyethyl)indole-3-carbonyl]amino]acetic acid
PubChem CID119954915
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[butan-2-yl-[1-(2-methoxyethyl)indole-3-carbonyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cn(CCOC)c2ccccc12
InChIInChI=1S/C18H24N2O4/c1-4-13(2)20(12-17(21)22)18(23)15-11-19(9-10-24-3)16-8-6-5-7-14(15)16/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,21,22)
InChIKeyAMNCYQOMOYJFSV-UHFFFAOYSA-N
XLogP2.61
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(2-methoxyethyl)indole-3-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190099
4-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]butanoic acid
CID 119170603
6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid
CID 119219776
1-(2-propan-2-yloxyethyl)indole-3-carboxylic acid
CID 54957599
3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701315
1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide
CID 167919547
2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid
CID 63650839
1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea
CID 40519790
2-[butan-2-yl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid
CID 103826055
1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519801
1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide
CID 71709068
4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid
CID 43246925

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[1-(2-methoxyethyl)indole-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[1-(2-methoxyethyl)indole-3-carbonyl]amino]acetic acid (CID 119954915) is 2-[butan-2-yl-[1-(2-methoxyethyl)indole-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[1-(2-methoxyethyl)indole-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[1-(2-methoxyethyl)indole-3-carbonyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1cn(CCOC)c2ccccc12.
What is the InChIKey of 2-[butan-2-yl-[1-(2-methoxyethyl)indole-3-carbonyl]amino]acetic acid?
The InChIKey is AMNCYQOMOYJFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-4-13(2)20(12-17(21)22)18(23)15-11-19(9-10-24-3)16-8-6-5-7-14(15)16/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,21,22).
What are the key properties of 2-[butan-2-yl-[1-(2-methoxyethyl)indole-3-carbonyl]amino]acetic acid?
2-[butan-2-yl-[1-(2-methoxyethyl)indole-3-carbonyl]amino]acetic acid has a molecular weight of 332.40 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[1-(2-methoxyethyl)indole-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 119954915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).