naphthalen-1-yl 2-amino-2-methylpropanoate

C14H15NO2 — CID 70178534

IUPACnaphthalen-1-yl 2-amino-2-methylpropanoate
SMILESCC(C)(N)C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C14H15NO2/c1-14(2,15)13(16)17-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,15H2,1-2H3
InChIKeyQKKDZNMAVRXFTM-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.48
Rot. Bonds2

About naphthalen-1-yl 2-amino-2-methylpropanoate

naphthalen-1-yl 2-amino-2-methylpropanoate (PubChem CID 70178534) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is naphthalen-1-yl 2-amino-2-methylpropanoate.

Molecular Properties

Compound Namenaphthalen-1-yl 2-amino-2-methylpropanoate
PubChem CID70178534
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namenaphthalen-1-yl 2-amino-2-methylpropanoate
SMILESCC(C)(N)C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C14H15NO2/c1-14(2,15)13(16)17-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,15H2,1-2H3
InChIKeyQKKDZNMAVRXFTM-UHFFFAOYSA-N
XLogP2.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-1-yl (2R)-2-aminopropanoate
CID 18639263
naphthalen-1-yl N-methylcarbamate
CID 23447097
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153
naphthalen-1-yl 2-methoxyacetate
CID 19894343
phenyl 2-amino-2-methylpropanoate
CID 22002021
naphthalen-1-yl 2-chloroacetate
CID 588968
naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91282149
calcium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173073118
magnesium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173327127
naphthalen-1-yl 2-methoxyacetate;hydrochloride
CID 19894342

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl 2-amino-2-methylpropanoate?
The IUPAC name of naphthalen-1-yl 2-amino-2-methylpropanoate (CID 70178534) is naphthalen-1-yl 2-amino-2-methylpropanoate.
What is the SMILES notation for naphthalen-1-yl 2-amino-2-methylpropanoate?
The canonical SMILES for naphthalen-1-yl 2-amino-2-methylpropanoate is CC(C)(N)C(=O)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl 2-amino-2-methylpropanoate?
The InChIKey is QKKDZNMAVRXFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-14(2,15)13(16)17-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,15H2,1-2H3.
What are the key properties of naphthalen-1-yl 2-amino-2-methylpropanoate?
naphthalen-1-yl 2-amino-2-methylpropanoate has a molecular weight of 229.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl 2-amino-2-methylpropanoate is sourced from PubChem (CID 70178534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).