methyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butanoate

C15H30N2O3 — CID 62973498

IUPACmethyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(C)(CCN1CCCOC(C)C1)NC(C)C
InChIInChI=1S/C15H30N2O3/c1-12(2)16-15(4,14(18)19-5)7-9-17-8-6-10-20-13(3)11-17/h12-13,16H,6-11H2,1-5H3
InChIKeyRFDWFNMMKMSUFU-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.42
Rot. Bonds6

About methyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butanoate

methyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butanoate (PubChem CID 62973498) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is methyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butanoate
PubChem CID62973498
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Namemethyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(C)(CCN1CCCOC(C)C1)NC(C)C
InChIInChI=1S/C15H30N2O3/c1-12(2)16-15(4,14(18)19-5)7-9-17-8-6-10-20-13(3)11-17/h12-13,16H,6-11H2,1-5H3
InChIKeyRFDWFNMMKMSUFU-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butanoate with MolForge

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Related Compounds

methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
CID 62973499
methyl 2-amino-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
CID 55152396
2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)hexanoic acid
CID 62974040
2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)propanoic acid
CID 62974038
ethyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)butanoate
CID 62973496
methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate
CID 103502105
methyl 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)butanoate
CID 81463972
methyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
CID 114539267
4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide
CID 102966479
methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate
CID 64705542
methyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate
CID 55162522
methyl 2-methyl-2-(methylamino)-4-(2-methylmorpholin-4-yl)pentanoate
CID 64726592

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butanoate?
The IUPAC name of methyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butanoate (CID 62973498) is methyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for methyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butanoate?
The canonical SMILES for methyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butanoate is COC(=O)C(C)(CCN1CCCOC(C)C1)NC(C)C.
What is the InChIKey of methyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butanoate?
The InChIKey is RFDWFNMMKMSUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-12(2)16-15(4,14(18)19-5)7-9-17-8-6-10-20-13(3)11-17/h12-13,16H,6-11H2,1-5H3.
What are the key properties of methyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butanoate?
methyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butanoate has a molecular weight of 286.42 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 62973498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).