methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate

C17H19NO3 — CID 40873480

IUPACmethyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate
SMILESCOC(=O)[C@H](NC(=O)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C17H19NO3/c1-11(2)15(17(20)21-3)18-16(19)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,15H,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyZTLMFVXKLHTOJC-OAHLLOKOSA-N
MW285.34 g/mol
LogP2.77
Rot. Bonds4

About methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate

methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate (PubChem CID 40873480) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate.

Molecular Properties

Compound Namemethyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate
PubChem CID40873480
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate
SMILESCOC(=O)[C@H](NC(=O)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C17H19NO3/c1-11(2)15(17(20)21-3)18-16(19)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,15H,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyZTLMFVXKLHTOJC-OAHLLOKOSA-N
XLogP2.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 17421586
methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate
CID 9245605
methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate
CID 62919485
3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid
CID 16777702
methyl (2S)-2-[(3-aminobenzoyl)amino]-3-methylbutanoate
CID 61142781
methyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate
CID 51681667
methyl 2-[(3,5-dihydroxybenzoyl)amino]-3-methylbutanoate
CID 113347317
methyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-methylbutanoate
CID 43452003
methyl (2S)-2-[(3-amino-4-methylbenzoyl)amino]-3-methylbutanoate
CID 61142860
methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate
CID 101108438
methyl (2S)-2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-3-methylbutanoate
CID 103998348
methyl (2S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-3-methylbutanoate
CID 2208900

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate?
The IUPAC name of methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate (CID 40873480) is methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate.
What is the SMILES notation for methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate?
The canonical SMILES for methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate is COC(=O)[C@H](NC(=O)c1ccc2ccccc2c1)C(C)C.
What is the InChIKey of methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate?
The InChIKey is ZTLMFVXKLHTOJC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11(2)15(17(20)21-3)18-16(19)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,15H,1-3H3,(H,18,19)/t15-/m1/s1.
What are the key properties of methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate?
methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate has a molecular weight of 285.34 g/mol, XLogP of 2.77, 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-(naphthalene-2-carbonylamino)butanoate is sourced from PubChem (CID 40873480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).