ethyl 2-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoate

C15H21NO3 — CID 22599555

IUPACethyl 2-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)NC1CCc2ccccc2C1O
InChIInChI=1S/C15H21NO3/c1-3-19-15(18)10(2)16-13-9-8-11-6-4-5-7-12(11)14(13)17/h4-7,10,13-14,16-17H,3,8-9H2,1-2H3
InChIKeyDWSVLLICGFVMBI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.58
Rot. Bonds4

About ethyl 2-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoate

ethyl 2-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoate (PubChem CID 22599555) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoate
PubChem CID22599555
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 2-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)NC1CCc2ccccc2C1O
InChIInChI=1S/C15H21NO3/c1-3-19-15(18)10(2)16-13-9-8-11-6-4-5-7-12(11)14(13)17/h4-7,10,13-14,16-17H,3,8-9H2,1-2H3
InChIKeyDWSVLLICGFVMBI-UHFFFAOYSA-N
XLogP1.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoate 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 (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 10987788
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 60780698
1-O-(2,3-dihydro-1H-inden-1-yl) 3-O-ethyl 2-ethylpropanedioate
CID 57028303
ethyl 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)propanoate
CID 102773602
ethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride
CID 19385933
ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate
CID 61498275
methyl (2S)-2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propanoate
CID 115531954
methyl (2S)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanoate
CID 43723688
ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
CID 102322788
2,3-dihydro-1H-inden-1-yl 2-methylbutanoate
CID 59254180
2-(1-ethoxypropan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 103489692
ethyl (2S)-2-(2-methylidene-1,3-dihydroinden-1-yl)propanoate
CID 170021750

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoate (CID 22599555) is ethyl 2-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoate is CCOC(=O)C(C)NC1CCc2ccccc2C1O.
What is the InChIKey of ethyl 2-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoate?
The InChIKey is DWSVLLICGFVMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-19-15(18)10(2)16-13-9-8-11-6-4-5-7-12(11)14(13)17/h4-7,10,13-14,16-17H,3,8-9H2,1-2H3.
What are the key properties of ethyl 2-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoate?
ethyl 2-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoate has a molecular weight of 263.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoate is sourced from PubChem (CID 22599555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).