methyl 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanoate

C15H21NO3 — CID 104644358

IUPACmethyl 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanoate
SMILESCOC(=O)C(C)(O)CNC1CCc2ccccc2C1
InChIInChI=1S/C15H21NO3/c1-15(18,14(17)19-2)10-16-13-8-7-11-5-3-4-6-12(11)9-13/h3-6,13,16,18H,7-10H2,1-2H3
InChIKeyDRNNBLFMAOAUJB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.06
Rot. Bonds4

About methyl 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanoate

methyl 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanoate (PubChem CID 104644358) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanoate
PubChem CID104644358
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanoate
SMILESCOC(=O)C(C)(O)CNC1CCc2ccccc2C1
InChIInChI=1S/C15H21NO3/c1-15(18,14(17)19-2)10-16-13-8-7-11-5-3-4-6-12(11)9-13/h3-6,13,16,18H,7-10H2,1-2H3
InChIKeyDRNNBLFMAOAUJB-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2,3-dihydro-1H-inden-1-ylamino)-2-hydroxy-2-methylpropanoate
CID 113436484
N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 104628831
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate
CID 43726172
3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol
CID 93026634
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide
CID 62305780
N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 5195618
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
N-(cyclobutylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43775224
N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60669476
2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethanesulfonamide
CID 43777346
4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol
CID 106127210

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanoate (CID 104644358) is methyl 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanoate is COC(=O)C(C)(O)CNC1CCc2ccccc2C1.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanoate?
The InChIKey is DRNNBLFMAOAUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(18,14(17)19-2)10-16-13-8-7-11-5-3-4-6-12(11)9-13/h3-6,13,16,18H,7-10H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanoate?
methyl 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanoate has a molecular weight of 263.34 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanoate is sourced from PubChem (CID 104644358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).