methyl 4-(4-methylpentan-2-yloxy)-2-(propylamino)butanoate

C14H29NO3 — CID 55144533

IUPACmethyl 4-(4-methylpentan-2-yloxy)-2-(propylamino)butanoate
SMILESCCCNC(CCOC(C)CC(C)C)C(=O)OC
InChIInChI=1S/C14H29NO3/c1-6-8-15-13(14(16)17-5)7-9-18-12(4)10-11(2)3/h11-13,15H,6-10H2,1-5H3
InChIKeyKDXUAZFHZFYPBO-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.37
Rot. Bonds10

About methyl 4-(4-methylpentan-2-yloxy)-2-(propylamino)butanoate

methyl 4-(4-methylpentan-2-yloxy)-2-(propylamino)butanoate (PubChem CID 55144533) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is methyl 4-(4-methylpentan-2-yloxy)-2-(propylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(4-methylpentan-2-yloxy)-2-(propylamino)butanoate
PubChem CID55144533
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Namemethyl 4-(4-methylpentan-2-yloxy)-2-(propylamino)butanoate
SMILESCCCNC(CCOC(C)CC(C)C)C(=O)OC
InChIInChI=1S/C14H29NO3/c1-6-8-15-13(14(16)17-5)7-9-18-12(4)10-11(2)3/h11-13,15H,6-10H2,1-5H3
InChIKeyKDXUAZFHZFYPBO-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate
CID 103489984
methyl (2S)-2-(propylamino)pentanoate
CID 141145827
methyl 2-(propylamino)pentanoate
CID 60795873
4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide
CID 103489985
methyl 2-(propylamino)octanoate
CID 60795997
methyl 4-(dimethylamino)-2-(propylamino)butanoate
CID 63027229
methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959551
methyl 2-(4-propan-2-yloxybutylamino)hexanoate
CID 114136317
methyl 2-[2-(2-methylpropoxy)ethylamino]hexanoate
CID 103267598
methyl 7-amino-6-(methylamino)-7-oxo-2-(propylamino)heptanoate
CID 66222372
ethyl 2-(propylamino)pentanoate
CID 21021838
methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate
CID 63034457

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methylpentan-2-yloxy)-2-(propylamino)butanoate?
The IUPAC name of methyl 4-(4-methylpentan-2-yloxy)-2-(propylamino)butanoate (CID 55144533) is methyl 4-(4-methylpentan-2-yloxy)-2-(propylamino)butanoate.
What is the SMILES notation for methyl 4-(4-methylpentan-2-yloxy)-2-(propylamino)butanoate?
The canonical SMILES for methyl 4-(4-methylpentan-2-yloxy)-2-(propylamino)butanoate is CCCNC(CCOC(C)CC(C)C)C(=O)OC.
What is the InChIKey of methyl 4-(4-methylpentan-2-yloxy)-2-(propylamino)butanoate?
The InChIKey is KDXUAZFHZFYPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-6-8-15-13(14(16)17-5)7-9-18-12(4)10-11(2)3/h11-13,15H,6-10H2,1-5H3.
What are the key properties of methyl 4-(4-methylpentan-2-yloxy)-2-(propylamino)butanoate?
methyl 4-(4-methylpentan-2-yloxy)-2-(propylamino)butanoate has a molecular weight of 259.39 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methylpentan-2-yloxy)-2-(propylamino)butanoate is sourced from PubChem (CID 55144533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).