methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate

C17H23NO3 — CID 43423445

IUPACmethyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate
SMILESCOC(=O)C(NC(=O)C1CCCc2ccccc21)C(C)C
InChIInChI=1S/C17H23NO3/c1-11(2)15(17(20)21-3)18-16(19)14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,11,14-15H,6,8,10H2,1-3H3,(H,18,19)
InChIKeyRKBHTHJCMYAWKA-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.42
Rot. Bonds4

About methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate

methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate (PubChem CID 43423445) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate
PubChem CID43423445
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Namemethyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate
SMILESCOC(=O)C(NC(=O)C1CCCc2ccccc21)C(C)C
InChIInChI=1S/C17H23NO3/c1-11(2)15(17(20)21-3)18-16(19)14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,11,14-15H,6,8,10H2,1-3H3,(H,18,19)
InChIKeyRKBHTHJCMYAWKA-UHFFFAOYSA-N
XLogP2.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915
N-(1-amino-1-hydroxyiminopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 76948358
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 79245874
2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 71326492
N-(4-hydroxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 115734909
3-methyl-2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-one
CID 114282258
N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 63755728
N-[1-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55576544
N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 57256640
N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103799339
N-(1-aminopentan-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62718722
(1R)-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 97225481

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate?
The IUPAC name of methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate (CID 43423445) is methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate.
What is the SMILES notation for methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate?
The canonical SMILES for methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate is COC(=O)C(NC(=O)C1CCCc2ccccc21)C(C)C.
What is the InChIKey of methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate?
The InChIKey is RKBHTHJCMYAWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11(2)15(17(20)21-3)18-16(19)14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,11,14-15H,6,8,10H2,1-3H3,(H,18,19).
What are the key properties of methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate?
methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate has a molecular weight of 289.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate is sourced from PubChem (CID 43423445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).