methyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate

C12H23NO4 — CID 64708577

IUPACmethyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate
SMILESCOC(=O)C(C)(N)CC(C)OCC1CCOC1
InChIInChI=1S/C12H23NO4/c1-9(6-12(2,13)11(14)15-3)17-8-10-4-5-16-7-10/h9-10H,4-8,13H2,1-3H3
InChIKeyYYHVHZXZCHRVMP-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.71
Rot. Bonds6

About methyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate

methyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate (PubChem CID 64708577) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate
PubChem CID64708577
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Namemethyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate
SMILESCOC(=O)C(C)(N)CC(C)OCC1CCOC1
InChIInChI=1S/C12H23NO4/c1-9(6-12(2,13)11(14)15-3)17-8-10-4-5-16-7-10/h9-10H,4-8,13H2,1-3H3
InChIKeyYYHVHZXZCHRVMP-UHFFFAOYSA-N
XLogP0.71
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-2-methyl-4-(oxolan-2-ylmethoxy)pentanoate
CID 64708810
2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)pentanamide
CID 64721587
2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol
CID 64811806
2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid
CID 134207969
methyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate
CID 64711913
3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine
CID 114999123
N-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine
CID 62486502
methyl 2-amino-2-methyl-4-(2-propoxyethoxy)pentanoate
CID 64720266
2-amino-2-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 79797743
ethyl 2-(oxolan-3-ylmethoxy)pentanoate
CID 83038452
methyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate
CID 97220901
methyl 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanoate
CID 106495684

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate?
The IUPAC name of methyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate (CID 64708577) is methyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate.
What is the SMILES notation for methyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate?
The canonical SMILES for methyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate is COC(=O)C(C)(N)CC(C)OCC1CCOC1.
What is the InChIKey of methyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate?
The InChIKey is YYHVHZXZCHRVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-9(6-12(2,13)11(14)15-3)17-8-10-4-5-16-7-10/h9-10H,4-8,13H2,1-3H3.
What are the key properties of methyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate?
methyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate has a molecular weight of 245.32 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate is sourced from PubChem (CID 64708577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).