methyl 2-methyl-2-(naphthalen-1-ylamino)propanoate

C15H17NO2 — CID 115128312

IUPACmethyl 2-methyl-2-(naphthalen-1-ylamino)propanoate
SMILESCOC(=O)C(C)(C)Nc1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-15(2,14(17)18-3)16-13-10-6-8-11-7-4-5-9-12(11)13/h4-10,16H,1-3H3
InChIKeyBPFAUOWFMJZBFC-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.20
Rot. Bonds3

About methyl 2-methyl-2-(naphthalen-1-ylamino)propanoate

methyl 2-methyl-2-(naphthalen-1-ylamino)propanoate (PubChem CID 115128312) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl 2-methyl-2-(naphthalen-1-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(naphthalen-1-ylamino)propanoate
PubChem CID115128312
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Namemethyl 2-methyl-2-(naphthalen-1-ylamino)propanoate
SMILESCOC(=O)C(C)(C)Nc1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-15(2,14(17)18-3)16-13-10-6-8-11-7-4-5-9-12(11)13/h4-10,16H,1-3H3
InChIKeyBPFAUOWFMJZBFC-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-chloroanilino)-2-methylpropanoate
CID 60990978
2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid
CID 79629217
1-fluoroethyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate
CID 141480693
2,2-dimethyl-N-naphthalen-1-ylbutanamide
CID 59672446
methyl 2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]-2-methylpropanoate
CID 43726068
2-methyl-1-(naphthalen-1-ylamino)propan-2-ol
CID 60884850
methyl 2,2-dimethyl-3-(naphthalen-1-ylmethylamino)propanoate
CID 79623968
3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide
CID 65264771
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
(naphthalen-1-ylamino) propanoate
CID 174368377

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(naphthalen-1-ylamino)propanoate?
The IUPAC name of methyl 2-methyl-2-(naphthalen-1-ylamino)propanoate (CID 115128312) is methyl 2-methyl-2-(naphthalen-1-ylamino)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(naphthalen-1-ylamino)propanoate?
The canonical SMILES for methyl 2-methyl-2-(naphthalen-1-ylamino)propanoate is COC(=O)C(C)(C)Nc1cccc2ccccc12.
What is the InChIKey of methyl 2-methyl-2-(naphthalen-1-ylamino)propanoate?
The InChIKey is BPFAUOWFMJZBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15(2,14(17)18-3)16-13-10-6-8-11-7-4-5-9-12(11)13/h4-10,16H,1-3H3.
What are the key properties of methyl 2-methyl-2-(naphthalen-1-ylamino)propanoate?
methyl 2-methyl-2-(naphthalen-1-ylamino)propanoate has a molecular weight of 243.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(naphthalen-1-ylamino)propanoate is sourced from PubChem (CID 115128312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).