methyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate

C15H21NO2 — CID 115418277

IUPACmethyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC1CCC(C)c2ccccc21
InChIInChI=1S/C15H21NO2/c1-10-8-9-14(16-11(2)15(17)18-3)13-7-5-4-6-12(10)13/h4-7,10-11,14,16H,8-9H2,1-3H3/t10?,11-,14?/m0/s1
InChIKeyTUPXSMCCXFKBTO-CVZZAPKMSA-N
MW247.34 g/mol
LogP2.78
Rot. Bonds3

About methyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate

methyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate (PubChem CID 115418277) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
PubChem CID115418277
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC1CCC(C)c2ccccc21
InChIInChI=1S/C15H21NO2/c1-10-8-9-14(16-11(2)15(17)18-3)13-7-5-4-6-12(10)13/h4-7,10-11,14,16H,8-9H2,1-3H3/t10?,11-,14?/m0/s1
InChIKeyTUPXSMCCXFKBTO-CVZZAPKMSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.78
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
4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301517
methyl (2S)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanoate
CID 43723688
4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113305898
(2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103789078
N-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418412
2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-propan-2-ylacetamide
CID 81302197
methyl (2S)-2-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]propanoate
CID 43786783
2,2-dimethyl-3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 103917146
methyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate
CID 60780597
4-methyl-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301993
N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418510

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate (CID 115418277) is methyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate is COC(=O)[C@H](C)NC1CCC(C)c2ccccc21.
What is the InChIKey of methyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate?
The InChIKey is TUPXSMCCXFKBTO-CVZZAPKMSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-8-9-14(16-11(2)15(17)18-3)13-7-5-4-6-12(10)13/h4-7,10-11,14,16H,8-9H2,1-3H3/t10?,11-,14?/m0/s1.
What are the key properties of methyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate?
methyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate has a molecular weight of 247.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate is sourced from PubChem (CID 115418277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).