2-[2-amino-3-[2-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)acetyl]oxy-6-ethoxy-2,3-dihydro-1H-inden-1-yl]acetic acid

C26H32N2O6 — CID 167179321

IUPAC2-[2-amino-3-[2-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)acetyl]oxy-6-ethoxy-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESCCOc1ccc2c(c1)CC(N)C2CC(=O)OC1c2ccc(OCC)cc2C(CC(=O)O)C1N
InChIInChI=1S/C26H32N2O6/c1-3-32-15-5-7-17-14(9-15)10-22(27)20(17)13-24(31)34-26-18-8-6-16(33-4-2)11-19(18)21(25(26)28)12-23(29)30/h5-9,11,20-22,25-26H,3-4,10,12-13,27-28H2,1-2H3,(H,29,30)
InChIKeyWRGKWBOCOFCQLL-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.02
Rot. Bonds9

About 2-[2-amino-3-[2-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)acetyl]oxy-6-ethoxy-2,3-dihydro-1H-inden-1-yl]acetic acid

2-[2-amino-3-[2-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)acetyl]oxy-6-ethoxy-2,3-dihydro-1H-inden-1-yl]acetic acid (PubChem CID 167179321) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is 2-[2-amino-3-[2-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)acetyl]oxy-6-ethoxy-2,3-dihydro-1H-inden-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-amino-3-[2-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)acetyl]oxy-6-ethoxy-2,3-dihydro-1H-inden-1-yl]acetic acid
PubChem CID167179321
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Name2-[2-amino-3-[2-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)acetyl]oxy-6-ethoxy-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESCCOc1ccc2c(c1)CC(N)C2CC(=O)OC1c2ccc(OCC)cc2C(CC(=O)O)C1N
InChIInChI=1S/C26H32N2O6/c1-3-32-15-5-7-17-14(9-15)10-22(27)20(17)13-24(31)34-26-18-8-6-16(33-4-2)11-19(18)21(25(26)28)12-23(29)30/h5-9,11,20-22,25-26H,3-4,10,12-13,27-28H2,1-2H3,(H,29,30)
InChIKeyWRGKWBOCOFCQLL-UHFFFAOYSA-N
XLogP3.02
TPSA134.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[2-amino-3-[2-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)acetyl]oxy-6-ethoxy-2,3-dihydro-1H-inden-1-yl]acetic acid with MolForge

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Related Compounds

4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid
CID 167179397
methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 166125952
3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid
CID 166125596
(1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol
CID 12051572
2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid
CID 64617332
2-[5-(2-ethoxy-2-oxoethoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 86196999
(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanal;methoxyethane
CID 166125690
5-ethoxy-2,3-dihydro-1H-inden-2-amine
CID 90944154
2-(1-acetyl-6-ethoxy-3,4-dihydro-2H-quinolin-3-yl)acetic acid
CID 82626499
6-ethoxy-2,3-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 79728842
2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid
CID 82114341

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-[2-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)acetyl]oxy-6-ethoxy-2,3-dihydro-1H-inden-1-yl]acetic acid?
The IUPAC name of 2-[2-amino-3-[2-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)acetyl]oxy-6-ethoxy-2,3-dihydro-1H-inden-1-yl]acetic acid (CID 167179321) is 2-[2-amino-3-[2-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)acetyl]oxy-6-ethoxy-2,3-dihydro-1H-inden-1-yl]acetic acid.
What is the SMILES notation for 2-[2-amino-3-[2-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)acetyl]oxy-6-ethoxy-2,3-dihydro-1H-inden-1-yl]acetic acid?
The canonical SMILES for 2-[2-amino-3-[2-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)acetyl]oxy-6-ethoxy-2,3-dihydro-1H-inden-1-yl]acetic acid is CCOc1ccc2c(c1)CC(N)C2CC(=O)OC1c2ccc(OCC)cc2C(CC(=O)O)C1N.
What is the InChIKey of 2-[2-amino-3-[2-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)acetyl]oxy-6-ethoxy-2,3-dihydro-1H-inden-1-yl]acetic acid?
The InChIKey is WRGKWBOCOFCQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6/c1-3-32-15-5-7-17-14(9-15)10-22(27)20(17)13-24(31)34-26-18-8-6-16(33-4-2)11-19(18)21(25(26)28)12-23(29)30/h5-9,11,20-22,25-26H,3-4,10,12-13,27-28H2,1-2H3,(H,29,30).
What are the key properties of 2-[2-amino-3-[2-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)acetyl]oxy-6-ethoxy-2,3-dihydro-1H-inden-1-yl]acetic acid?
2-[2-amino-3-[2-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)acetyl]oxy-6-ethoxy-2,3-dihydro-1H-inden-1-yl]acetic acid has a molecular weight of 468.55 g/mol, XLogP of 3.02, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-[2-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)acetyl]oxy-6-ethoxy-2,3-dihydro-1H-inden-1-yl]acetic acid is sourced from PubChem (CID 167179321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).