naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C17H19NO4 — CID 57153097

IUPACnaphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C17H19NO4/c1-17(2,3)22-16(20)18-11-15(19)21-14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,11H2,1-3H3,(H,18,20)
InChIKeyORIIEJOZCJTILS-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.27
Rot. Bonds3

About naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 57153097) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Namenaphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID57153097
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Namenaphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C17H19NO4/c1-17(2,3)22-16(20)18-11-15(19)21-14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,11H2,1-3H3,(H,18,20)
InChIKeyORIIEJOZCJTILS-UHFFFAOYSA-N
XLogP3.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 137320625
tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate
CID 19989025
tert-butyl N-(2-naphthalen-2-yl-3-oxopropyl)carbamate
CID 87951534
naphthalen-2-yl (2R)-2-benzyl-2-(methylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 149436820
[5-(diaminomethylideneamino)naphthalen-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10626361
3-(naphthalen-2-yloxycarbonylamino)propanoic acid
CID 82300933
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734144
tert-butyl N-[2-(1-benzothiophen-2-yl)-2-oxoethyl]carbamate
CID 21064726
tert-butyl N-[2-[[1-(3,5-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]carbamate
CID 18015256
naphthalen-2-yl 3-aminopropanoate
CID 82113672
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-yloxypropanoate
CID 118862766
ethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate
CID 4158444

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 57153097) is naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(C)(C)OC(=O)NCC(=O)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is ORIIEJOZCJTILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-17(2,3)22-16(20)18-11-15(19)21-14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,11H2,1-3H3,(H,18,20).
What are the key properties of naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 301.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 57153097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).