3-[[1-(2-methoxyethyl)indole-3-carbonyl]-(2-methylpropyl)amino]propanoic acid

C19H26N2O4 — CID 119190099

IUPAC3-[[1-(2-methoxyethyl)indole-3-carbonyl]-(2-methylpropyl)amino]propanoic acid
SMILESCOCCn1cc(C(=O)N(CCC(=O)O)CC(C)C)c2ccccc21
InChIInChI=1S/C19H26N2O4/c1-14(2)12-21(9-8-18(22)23)19(24)16-13-20(10-11-25-3)17-7-5-4-6-15(16)17/h4-7,13-14H,8-12H2,1-3H3,(H,22,23)
InChIKeyOMVINLFHWKBBLV-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.86
Rot. Bonds9

About 3-[[1-(2-methoxyethyl)indole-3-carbonyl]-(2-methylpropyl)amino]propanoic acid

3-[[1-(2-methoxyethyl)indole-3-carbonyl]-(2-methylpropyl)amino]propanoic acid (PubChem CID 119190099) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)indole-3-carbonyl]-(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)indole-3-carbonyl]-(2-methylpropyl)amino]propanoic acid
PubChem CID119190099
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-[[1-(2-methoxyethyl)indole-3-carbonyl]-(2-methylpropyl)amino]propanoic acid
SMILESCOCCn1cc(C(=O)N(CCC(=O)O)CC(C)C)c2ccccc21
InChIInChI=1S/C19H26N2O4/c1-14(2)12-21(9-8-18(22)23)19(24)16-13-20(10-11-25-3)17-7-5-4-6-15(16)17/h4-7,13-14H,8-12H2,1-3H3,(H,22,23)
InChIKeyOMVINLFHWKBBLV-UHFFFAOYSA-N
XLogP2.86
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]butanoic acid
CID 119170603
2-[butan-2-yl-[1-(2-methoxyethyl)indole-3-carbonyl]amino]acetic acid
CID 119954915
6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid
CID 119219776
4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid
CID 43246925
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
1-(2-propan-2-yloxyethyl)indole-3-carboxylic acid
CID 54957599
1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]indole-3-carboxamide
CID 47072758
3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324912
1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea
CID 40519790
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

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)indole-3-carbonyl]-(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[[1-(2-methoxyethyl)indole-3-carbonyl]-(2-methylpropyl)amino]propanoic acid (CID 119190099) is 3-[[1-(2-methoxyethyl)indole-3-carbonyl]-(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)indole-3-carbonyl]-(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[[1-(2-methoxyethyl)indole-3-carbonyl]-(2-methylpropyl)amino]propanoic acid is COCCn1cc(C(=O)N(CCC(=O)O)CC(C)C)c2ccccc21.
What is the InChIKey of 3-[[1-(2-methoxyethyl)indole-3-carbonyl]-(2-methylpropyl)amino]propanoic acid?
The InChIKey is OMVINLFHWKBBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14(2)12-21(9-8-18(22)23)19(24)16-13-20(10-11-25-3)17-7-5-4-6-15(16)17/h4-7,13-14H,8-12H2,1-3H3,(H,22,23).
What are the key properties of 3-[[1-(2-methoxyethyl)indole-3-carbonyl]-(2-methylpropyl)amino]propanoic acid?
3-[[1-(2-methoxyethyl)indole-3-carbonyl]-(2-methylpropyl)amino]propanoic acid has a molecular weight of 346.43 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)indole-3-carbonyl]-(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 119190099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).