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

C15H21NO2 — CID 43726017

IUPACmethyl 2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoate
SMILESCOC(=O)C(C)(C)NC1CCCc2ccccc21
InChIInChI=1S/C15H21NO2/c1-15(2,14(17)18-3)16-13-10-6-8-11-7-4-5-9-12(11)13/h4-5,7,9,13,16H,6,8,10H2,1-3H3
InChIKeyAFTDJRBMSHKBGI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.61
Rot. Bonds3

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

methyl 2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoate (PubChem CID 43726017) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoate
PubChem CID43726017
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoate
SMILESCOC(=O)C(C)(C)NC1CCCc2ccccc21
InChIInChI=1S/C15H21NO2/c1-15(2,14(17)18-3)16-13-10-6-8-11-7-4-5-9-12(11)13/h4-5,7,9,13,16H,6,8,10H2,1-3H3
InChIKeyAFTDJRBMSHKBGI-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanoate
CID 43726050
N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54507059
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 19794096
2,2-dimethyl-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 166867733
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
methyl 3-(2,3-dihydro-1H-inden-1-ylamino)-2-hydroxy-2-methylpropanoate
CID 113436484
N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 166139472
methyl 2-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 113369459
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
2-(3,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2554404
methyl (2S)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanoate
CID 43723688
3,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 837268

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoate?
The IUPAC name of methyl 2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoate (CID 43726017) is methyl 2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoate?
The canonical SMILES for methyl 2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoate is COC(=O)C(C)(C)NC1CCCc2ccccc21.
What is the InChIKey of methyl 2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoate?
The InChIKey is AFTDJRBMSHKBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,14(17)18-3)16-13-10-6-8-11-7-4-5-9-12(11)13/h4-5,7,9,13,16H,6,8,10H2,1-3H3.
What are the key properties of methyl 2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoate?
methyl 2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoate has a molecular weight of 247.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoate is sourced from PubChem (CID 43726017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).