[(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate

C21H19NO3 — CID 7881119

IUPAC[(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESC[C@H](OC(=O)CNC(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C21H19NO3/c1-15(16-7-3-2-4-8-16)25-20(23)14-22-21(24)19-12-11-17-9-5-6-10-18(17)13-19/h2-13,15H,14H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyUFYRUSKDPCSYDB-HNNXBMFYSA-N
MW333.39 g/mol
LogP3.87
Rot. Bonds5

About [(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate

[(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate (PubChem CID 7881119) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is [(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate
PubChem CID7881119
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name[(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESC[C@H](OC(=O)CNC(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C21H19NO3/c1-15(16-7-3-2-4-8-16)25-20(23)14-22-21(24)19-12-11-17-9-5-6-10-18(17)13-19/h2-13,15H,14H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyUFYRUSKDPCSYDB-HNNXBMFYSA-N
XLogP3.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880684
[(1R)-1-(2-chlorophenyl)ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881788
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8943626
1-phenylethyl naphthalene-2-carboxylate
CID 13356574
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 41071746
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881443
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881130
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881356
[1-(3-methylanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 42902368
N-[2-oxo-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]naphthalene-2-carboxamide
CID 2472244
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate?
The IUPAC name of [(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate (CID 7881119) is [(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate.
What is the SMILES notation for [(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate?
The canonical SMILES for [(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate is C[C@H](OC(=O)CNC(=O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of [(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate?
The InChIKey is UFYRUSKDPCSYDB-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-15(16-7-3-2-4-8-16)25-20(23)14-22-21(24)19-12-11-17-9-5-6-10-18(17)13-19/h2-13,15H,14H2,1H3,(H,22,24)/t15-/m0/s1.
What are the key properties of [(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate?
[(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate has a molecular weight of 333.39 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate is sourced from PubChem (CID 7881119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).