methyl 2-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate

C16H21NO2 — CID 113369459

IUPACmethyl 2-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
SMILESCOC(=O)C(NC1CCCc2ccccc21)C1CC1
InChIInChI=1S/C16H21NO2/c1-19-16(18)15(12-9-10-12)17-14-8-4-6-11-5-2-3-7-13(11)14/h2-3,5,7,12,14-15,17H,4,6,8-10H2,1H3
InChIKeyLYCGNYIHDQONKA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.61
Rot. Bonds4

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

methyl 2-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate (PubChem CID 113369459) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
PubChem CID113369459
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Namemethyl 2-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
SMILESCOC(=O)C(NC1CCCc2ccccc21)C1CC1
InChIInChI=1S/C16H21NO2/c1-19-16(18)15(12-9-10-12)17-14-8-4-6-11-5-2-3-7-13(11)14/h2-3,5,7,12,14-15,17H,4,6,8-10H2,1H3
InChIKeyLYCGNYIHDQONKA-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanoate
CID 43723688
methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate
CID 104693831
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 60780698
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid
CID 43652089
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 19794096
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43191940
3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol
CID 114094230
N-[(1R)-1-cycloheptylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81390131
N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54507059
methyl 2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoate
CID 43726017
2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid
CID 65054889

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate?
The IUPAC name of methyl 2-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate (CID 113369459) is methyl 2-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate is COC(=O)C(NC1CCCc2ccccc21)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate?
The InChIKey is LYCGNYIHDQONKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-19-16(18)15(12-9-10-12)17-14-8-4-6-11-5-2-3-7-13(11)14/h2-3,5,7,12,14-15,17H,4,6,8-10H2,1H3.
What are the key properties of methyl 2-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate?
methyl 2-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate has a molecular weight of 259.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate is sourced from PubChem (CID 113369459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).