methyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate

C17H23NO3 — CID 51681667

IUPACmethyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate
SMILESCOC(=O)[C@H](NC(=O)c1ccc2c(c1)CCCC2)C(C)C
InChIInChI=1S/C17H23NO3/c1-11(2)15(17(20)21-3)18-16(19)14-9-8-12-6-4-5-7-13(12)10-14/h8-11,15H,4-7H2,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyJVUFYTDHZOKQDM-OAHLLOKOSA-N
MW289.38 g/mol
LogP2.49
Rot. Bonds4

About methyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate

methyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate (PubChem CID 51681667) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate.

Molecular Properties

Compound Namemethyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate
PubChem CID51681667
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Namemethyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate
SMILESCOC(=O)[C@H](NC(=O)c1ccc2c(c1)CCCC2)C(C)C
InChIInChI=1S/C17H23NO3/c1-11(2)15(17(20)21-3)18-16(19)14-9-8-12-6-4-5-7-13(12)10-14/h8-11,15H,4-7H2,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyJVUFYTDHZOKQDM-OAHLLOKOSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-3-methylbutanoate
CID 103998348
methyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-methylbutanoate
CID 43452003
methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 40873480
methyl (2S)-2-[(3-amino-4-methylbenzoyl)amino]-3-methylbutanoate
CID 61142860
methyl 3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 17421586
2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid
CID 43176189
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
methyl (2S)-2-[(3-aminobenzoyl)amino]-3-methylbutanoate
CID 61142781
3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 43240739
3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 43467734
methyl 2-[(4-chloro-3-methylbenzoyl)amino]-3-methylbutanoate
CID 113256400
methyl 2-[(3-amino-4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 61095584

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate?
The IUPAC name of methyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate (CID 51681667) is methyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate.
What is the SMILES notation for methyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate?
The canonical SMILES for methyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate is COC(=O)[C@H](NC(=O)c1ccc2c(c1)CCCC2)C(C)C.
What is the InChIKey of methyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate?
The InChIKey is JVUFYTDHZOKQDM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11(2)15(17(20)21-3)18-16(19)14-9-8-12-6-4-5-7-13(12)10-14/h8-11,15H,4-7H2,1-3H3,(H,18,19)/t15-/m1/s1.
What are the key properties of methyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate?
methyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate has a molecular weight of 289.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate is sourced from PubChem (CID 51681667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).