methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate

C16H17NO3 — CID 2079406

IUPACmethyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H17NO3/c1-11(16(19)20-2)17-15(18)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11H,10H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyJZZQHBROKOHAQW-LLVKDONJSA-N
MW271.32 g/mol
LogP2.06
Rot. Bonds4

About methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate

methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate (PubChem CID 2079406) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate
PubChem CID2079406
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namemethyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H17NO3/c1-11(16(19)20-2)17-15(18)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11H,10H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyJZZQHBROKOHAQW-LLVKDONJSA-N
XLogP2.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate
CID 110485821
phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 9138862
2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206
N-(1-cyano-2-methylpropyl)-2-naphthalen-1-ylacetamide
CID 63928538
(2S)-N-(2-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 24535921
(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 2084038
N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide
CID 79252551
methyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate
CID 9277768
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 7572911
N-(2-ethoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 17476443
(2R)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 26002941

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate?
The IUPAC name of methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate (CID 2079406) is methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate?
The canonical SMILES for methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate is COC(=O)[C@@H](C)NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate?
The InChIKey is JZZQHBROKOHAQW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(16(19)20-2)17-15(18)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11H,10H2,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate?
methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate has a molecular weight of 271.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate is sourced from PubChem (CID 2079406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).