ethyl 5-methoxy-4-methyl-3-(methylamino)pentanoate

C10H21NO3 — CID 116503368

IUPACethyl 5-methoxy-4-methyl-3-(methylamino)pentanoate
SMILESCCOC(=O)CC(NC)C(C)COC
InChIInChI=1S/C10H21NO3/c1-5-14-10(12)6-9(11-3)8(2)7-13-4/h8-9,11H,5-7H2,1-4H3
InChIKeyMHNMDZTXWJYUNO-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.81
Rot. Bonds7

About ethyl 5-methoxy-4-methyl-3-(methylamino)pentanoate

ethyl 5-methoxy-4-methyl-3-(methylamino)pentanoate (PubChem CID 116503368) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is ethyl 5-methoxy-4-methyl-3-(methylamino)pentanoate.

Molecular Properties

Compound Nameethyl 5-methoxy-4-methyl-3-(methylamino)pentanoate
PubChem CID116503368
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nameethyl 5-methoxy-4-methyl-3-(methylamino)pentanoate
SMILESCCOC(=O)CC(NC)C(C)COC
InChIInChI=1S/C10H21NO3/c1-5-14-10(12)6-9(11-3)8(2)7-13-4/h8-9,11H,5-7H2,1-4H3
InChIKeyMHNMDZTXWJYUNO-UHFFFAOYSA-N
XLogP0.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-ethyl-3-(methylamino)hexanoate
CID 65236621
CID 172843337
CID 172843337
ethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate
CID 103254023
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
diethyl propanedioate;3-O-ethyl 1-O-methyl propanedioate
CID 91497468
1,2-dimethoxypropane;ethyl propanoate
CID 160979574
ethyl 2-(methylaminooxy)acetate
CID 15922728
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
diethyl 3-(2-methoxyacetyl)pentanedioate
CID 141391818
ethyl 3-hydroxy-4-(2-methoxyethoxyamino)butanoate
CID 103261675
ethyl 2-amino-3-hydroxy-5-methoxy-4-methylpentanoate
CID 116502135
ethyl 4-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]butanoate
CID 111025672

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-4-methyl-3-(methylamino)pentanoate?
The IUPAC name of ethyl 5-methoxy-4-methyl-3-(methylamino)pentanoate (CID 116503368) is ethyl 5-methoxy-4-methyl-3-(methylamino)pentanoate.
What is the SMILES notation for ethyl 5-methoxy-4-methyl-3-(methylamino)pentanoate?
The canonical SMILES for ethyl 5-methoxy-4-methyl-3-(methylamino)pentanoate is CCOC(=O)CC(NC)C(C)COC.
What is the InChIKey of ethyl 5-methoxy-4-methyl-3-(methylamino)pentanoate?
The InChIKey is MHNMDZTXWJYUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-14-10(12)6-9(11-3)8(2)7-13-4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of ethyl 5-methoxy-4-methyl-3-(methylamino)pentanoate?
ethyl 5-methoxy-4-methyl-3-(methylamino)pentanoate has a molecular weight of 203.28 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-4-methyl-3-(methylamino)pentanoate is sourced from PubChem (CID 116503368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).