methyl (2S)-2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propanoate

C16H23NO2 — CID 115531954

IUPACmethyl (2S)-2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC1c2ccccc2CCC1(C)C
InChIInChI=1S/C16H23NO2/c1-11(15(18)19-4)17-14-13-8-6-5-7-12(13)9-10-16(14,2)3/h5-8,11,14,17H,9-10H2,1-4H3/t11-,14?/m0/s1
InChIKeyQHUTYILZOSQQOS-ZSOXZCCMSA-N
MW261.37 g/mol
LogP2.85
Rot. Bonds3

About methyl (2S)-2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propanoate

methyl (2S)-2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propanoate (PubChem CID 115531954) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl (2S)-2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propanoate
PubChem CID115531954
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl (2S)-2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC1c2ccccc2CCC1(C)C
InChIInChI=1S/C16H23NO2/c1-11(15(18)19-4)17-14-13-8-6-5-7-12(13)9-10-16(14,2)3/h5-8,11,14,17H,9-10H2,1-4H3/t11-,14?/m0/s1
InChIKeyQHUTYILZOSQQOS-ZSOXZCCMSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 60780698
2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropanamide
CID 115532003
N-but-3-en-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 113480827
methyl (2S)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanoate
CID 43723688
(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol
CID 114266891
N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531971
N-heptan-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531929
4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol
CID 113329803
2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531808
methyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 115418277
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropanenitrile
CID 113329799
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine
CID 83010508

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propanoate (CID 115531954) is methyl (2S)-2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propanoate is COC(=O)[C@H](C)NC1c2ccccc2CCC1(C)C.
What is the InChIKey of methyl (2S)-2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propanoate?
The InChIKey is QHUTYILZOSQQOS-ZSOXZCCMSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(15(18)19-4)17-14-13-8-6-5-7-12(13)9-10-16(14,2)3/h5-8,11,14,17H,9-10H2,1-4H3/t11-,14?/m0/s1.
What are the key properties of methyl (2S)-2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propanoate?
methyl (2S)-2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propanoate has a molecular weight of 261.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propanoate is sourced from PubChem (CID 115531954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).