methyl 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methylpentanoate

C15H27NO3 — CID 64865063

IUPACmethyl 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC1C2CCOC2C1(C)C)C(=O)OC
InChIInChI=1S/C15H27NO3/c1-6-9(2)11(14(17)18-5)16-12-10-7-8-19-13(10)15(12,3)4/h9-13,16H,6-8H2,1-5H3
InChIKeyHCPDAYNWTVPZEA-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.98
Rot. Bonds5

About methyl 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methylpentanoate

methyl 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methylpentanoate (PubChem CID 64865063) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methylpentanoate
PubChem CID64865063
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC1C2CCOC2C1(C)C)C(=O)OC
InChIInChI=1S/C15H27NO3/c1-6-9(2)11(14(17)18-5)16-12-10-7-8-19-13(10)15(12,3)4/h9-13,16H,6-8H2,1-5H3
InChIKeyHCPDAYNWTVPZEA-UHFFFAOYSA-N
XLogP1.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methylpentanoate with MolForge

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Related Compounds

2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-diethylpropanamide
CID 64863898
methyl 3-methyl-2-[(2-methyloxolan-3-yl)amino]pentanoate
CID 82727620
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-1-ol
CID 64864462
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-4-methylpentanoic acid
CID 64864300
7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115906316
(3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol
CID 103921775
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol
CID 106187432
2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride
CID 119329831
N-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863914
7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 54594844
2-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethoxy]acetamide
CID 114162010
(2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol
CID 103922179

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methylpentanoate (CID 64865063) is methyl 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methylpentanoate is CCC(C)C(NC1C2CCOC2C1(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methylpentanoate?
The InChIKey is HCPDAYNWTVPZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-6-9(2)11(14(17)18-5)16-12-10-7-8-19-13(10)15(12,3)4/h9-13,16H,6-8H2,1-5H3.
What are the key properties of methyl 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methylpentanoate?
methyl 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methylpentanoate has a molecular weight of 269.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methylpentanoate is sourced from PubChem (CID 64865063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).