methyl (2R)-2-(3-methylimidazol-4-yl)-2-(naphthalene-2-carbonylamino)acetate

C18H17N3O3 — CID 100677397

IUPACmethyl (2R)-2-(3-methylimidazol-4-yl)-2-(naphthalene-2-carbonylamino)acetate
SMILESCOC(=O)[C@H](NC(=O)c1ccc2ccccc2c1)c1cncn1C
InChIInChI=1S/C18H17N3O3/c1-21-11-19-10-15(21)16(18(23)24-2)20-17(22)14-8-7-12-5-3-4-6-13(12)9-14/h3-11,16H,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyIOJWMMPPXLGFLK-MRXNPFEDSA-N
MW323.35 g/mol
LogP2.22
Rot. Bonds4

About methyl (2R)-2-(3-methylimidazol-4-yl)-2-(naphthalene-2-carbonylamino)acetate

methyl (2R)-2-(3-methylimidazol-4-yl)-2-(naphthalene-2-carbonylamino)acetate (PubChem CID 100677397) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl (2R)-2-(3-methylimidazol-4-yl)-2-(naphthalene-2-carbonylamino)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(3-methylimidazol-4-yl)-2-(naphthalene-2-carbonylamino)acetate
PubChem CID100677397
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Namemethyl (2R)-2-(3-methylimidazol-4-yl)-2-(naphthalene-2-carbonylamino)acetate
SMILESCOC(=O)[C@H](NC(=O)c1ccc2ccccc2c1)c1cncn1C
InChIInChI=1S/C18H17N3O3/c1-21-11-19-10-15(21)16(18(23)24-2)20-17(22)14-8-7-12-5-3-4-6-13(12)9-14/h3-11,16H,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyIOJWMMPPXLGFLK-MRXNPFEDSA-N
XLogP2.22
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-(3-methylimidazol-4-yl)acetate
CID 99791300
methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 40873480
methyl 3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 17421586
methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate
CID 101108438
methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate
CID 9245605
(3-methylimidazol-4-yl)-naphthalen-2-ylmethanol
CID 66116281
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
methyl 2-(3-methylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 66118172
3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid
CID 16777702
2-[(1-methylindole-6-carbonyl)amino]-2-phenylacetic acid
CID 72889894
methyl 2-naphthalen-2-yl-2-oxoacetate
CID 3726008
ethane;naphthalene-2-carbohydrazide
CID 91601372

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(3-methylimidazol-4-yl)-2-(naphthalene-2-carbonylamino)acetate?
The IUPAC name of methyl (2R)-2-(3-methylimidazol-4-yl)-2-(naphthalene-2-carbonylamino)acetate (CID 100677397) is methyl (2R)-2-(3-methylimidazol-4-yl)-2-(naphthalene-2-carbonylamino)acetate.
What is the SMILES notation for methyl (2R)-2-(3-methylimidazol-4-yl)-2-(naphthalene-2-carbonylamino)acetate?
The canonical SMILES for methyl (2R)-2-(3-methylimidazol-4-yl)-2-(naphthalene-2-carbonylamino)acetate is COC(=O)[C@H](NC(=O)c1ccc2ccccc2c1)c1cncn1C.
What is the InChIKey of methyl (2R)-2-(3-methylimidazol-4-yl)-2-(naphthalene-2-carbonylamino)acetate?
The InChIKey is IOJWMMPPXLGFLK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-21-11-19-10-15(21)16(18(23)24-2)20-17(22)14-8-7-12-5-3-4-6-13(12)9-14/h3-11,16H,1-2H3,(H,20,22)/t16-/m1/s1.
What are the key properties of methyl (2R)-2-(3-methylimidazol-4-yl)-2-(naphthalene-2-carbonylamino)acetate?
methyl (2R)-2-(3-methylimidazol-4-yl)-2-(naphthalene-2-carbonylamino)acetate has a molecular weight of 323.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(3-methylimidazol-4-yl)-2-(naphthalene-2-carbonylamino)acetate is sourced from PubChem (CID 100677397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).