ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)acetate;hydrochloride

C13H18ClNO2 — CID 13132277

IUPACethyl 2-(2,3-dihydro-1H-inden-2-ylamino)acetate;hydrochloride
SMILESCCOC(=O)CNC1Cc2ccccc2C1.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-2-16-13(15)9-14-12-7-10-5-3-4-6-11(10)8-12;/h3-6,12,14H,2,7-9H2,1H3;1H
InChIKeySLJRZJIHVGUOJT-UHFFFAOYSA-N
MW255.74 g/mol
LogP1.73
Rot. Bonds4

About ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)acetate;hydrochloride

ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)acetate;hydrochloride (PubChem CID 13132277) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydro-1H-inden-2-ylamino)acetate;hydrochloride
PubChem CID13132277
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Nameethyl 2-(2,3-dihydro-1H-inden-2-ylamino)acetate;hydrochloride
SMILESCCOC(=O)CNC1Cc2ccccc2C1.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-2-16-13(15)9-14-12-7-10-5-3-4-6-11(10)8-12;/h3-6,12,14H,2,7-9H2,1H3;1H
InChIKeySLJRZJIHVGUOJT-UHFFFAOYSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)acetate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-[(1-phenylethyl)amino]acetate
CID 6917064
Methyl 2-(phenethylamino)acetate
CID 22991956
2-((5,6-Diethylindan-2-yl)amino)acetic acid
CID 118753264
2-Indanylglycine
CID 9990113
N-((1R)-1-Phenylethyl)glycine ethyl ester
CID 6455333
methyl 2-[[(1S,2R)-2-phenylcyclopropyl]amino]propanoate
CID 67378910
ethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate
CID 51076007
methyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate
CID 56811071
Ethyl 2-(benzylamino)propanoate
CID 222273
N-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 126810075
N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine
CID 2245144
(S)-Ethyl 2-(benzylamino)propanoate
CID 6932200

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)acetate;hydrochloride?
The IUPAC name of ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)acetate;hydrochloride (CID 13132277) is ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)acetate;hydrochloride is CCOC(=O)CNC1Cc2ccccc2C1.Cl.
What is the InChIKey of ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)acetate;hydrochloride?
The InChIKey is SLJRZJIHVGUOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c1-2-16-13(15)9-14-12-7-10-5-3-4-6-11(10)8-12;/h3-6,12,14H,2,7-9H2,1H3;1H.
What are the key properties of ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)acetate;hydrochloride?
ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)acetate;hydrochloride has a molecular weight of 255.74 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)acetate;hydrochloride is sourced from PubChem (CID 13132277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).