2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid

C14H18N2O4 — CID 80567157

IUPAC2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1CNc2ccccc21
InChIInChI=1S/C14H18N2O4/c1-20-7-6-16(9-13(17)18)14(19)11-8-15-12-5-3-2-4-10(11)12/h2-5,11,15H,6-9H2,1H3,(H,17,18)
InChIKeyWHQWHDWHWVNQRR-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.76
Rot. Bonds6

About 2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid

2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid (PubChem CID 80567157) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid
PubChem CID80567157
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1CNc2ccccc21
InChIInChI=1S/C14H18N2O4/c1-20-7-6-16(9-13(17)18)14(19)11-8-15-12-5-3-2-4-10(11)12/h2-5,11,15H,6-9H2,1H3,(H,17,18)
InChIKeyWHQWHDWHWVNQRR-UHFFFAOYSA-N
XLogP0.76
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,3-dihydro-1H-indole-3-carbonyl(propan-2-yl)amino]acetic acid
CID 80565595
2-[[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 124516113
N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80563634
3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate
CID 80565901
2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid
CID 119348048
2-(2,3-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 80572799
methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid
CID 80566466
N,N-dibenzyl-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide
CID 71023643
N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565251
2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid
CID 80566211
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80567177

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid (CID 80567157) is 2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)C1CNc2ccccc21.
What is the InChIKey of 2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid?
The InChIKey is WHQWHDWHWVNQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-7-6-16(9-13(17)18)14(19)11-8-15-12-5-3-2-4-10(11)12/h2-5,11,15H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid?
2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 80567157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).