methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate

C10H19NO3 — CID 62972695

IUPACmethyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate
SMILESCOC(=O)C(C)N1CCCOC(C)C1
InChIInChI=1S/C10H19NO3/c1-8-7-11(5-4-6-14-8)9(2)10(12)13-3/h8-9H,4-7H2,1-3H3
InChIKeyCXYMXAJHBDTNLJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.66
Rot. Bonds2

About methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate

methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate (PubChem CID 62972695) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate
PubChem CID62972695
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate
SMILESCOC(=O)C(C)N1CCCOC(C)C1
InChIInChI=1S/C10H19NO3/c1-8-7-11(5-4-6-14-8)9(2)10(12)13-3/h8-9H,4-7H2,1-3H3
InChIKeyCXYMXAJHBDTNLJ-UHFFFAOYSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one
CID 64866930
3-methyl-2-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide
CID 63583173
3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide
CID 103229582
methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoate
CID 103936716
methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate
CID 107225880
methyl 2-[2-(1-aminoethyl)morpholin-4-yl]propanoate
CID 115315582
methyl 5-[1-(2-methyl-1,4-oxazepan-4-yl)ethyl]furan-2-carboxylate
CID 78920571
N-(4-amino-2-methylphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)propanamide
CID 62989125
methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate
CID 64705542
methyl 2-(2,2-dimethyl-1,4-oxazepan-4-yl)propanoate
CID 130671460
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate
CID 62918498

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate?
The IUPAC name of methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate (CID 62972695) is methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate.
What is the SMILES notation for methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate?
The canonical SMILES for methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate is COC(=O)C(C)N1CCCOC(C)C1.
What is the InChIKey of methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate?
The InChIKey is CXYMXAJHBDTNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8-7-11(5-4-6-14-8)9(2)10(12)13-3/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate?
methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate is sourced from PubChem (CID 62972695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).