methyl 2-[[methyl(propyl)amino]methyl]butanoate

C10H21NO2 — CID 115253043

IUPACmethyl 2-[[methyl(propyl)amino]methyl]butanoate
SMILESCCCN(C)CC(CC)C(=O)OC
InChIInChI=1S/C10H21NO2/c1-5-7-11(3)8-9(6-2)10(12)13-4/h9H,5-8H2,1-4H3
InChIKeyMFZLTEVFTMUZRQ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.53
Rot. Bonds6

About methyl 2-[[methyl(propyl)amino]methyl]butanoate

methyl 2-[[methyl(propyl)amino]methyl]butanoate (PubChem CID 115253043) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 2-[[methyl(propyl)amino]methyl]butanoate.

Molecular Properties

Compound Namemethyl 2-[[methyl(propyl)amino]methyl]butanoate
PubChem CID115253043
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 2-[[methyl(propyl)amino]methyl]butanoate
SMILESCCCN(C)CC(CC)C(=O)OC
InChIInChI=1S/C10H21NO2/c1-5-7-11(3)8-9(6-2)10(12)13-4/h9H,5-8H2,1-4H3
InChIKeyMFZLTEVFTMUZRQ-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate
CID 115253257
methyl 2-[(N-methyl-4-propylanilino)methyl]butanoate
CID 115253064
methyl 2-methyl-3-[methyl(octyl)amino]propanoate
CID 62011879
methyl 2-[(4-bromo-N-methylanilino)methyl]butanoate
CID 115253055
N,N-diethyl-2-[[2-methoxyethyl(methyl)amino]methyl]butanamide
CID 143677683
methyl 2-(aminomethyl)pentanoate
CID 65220226
methyl (2S)-3-(dipropylamino)-2-methylpropanoate
CID 92938899
methyl 3-(dipropylamino)-2-methylpropanoate
CID 3015534
N,N-diethyl-2-[[2-methoxyethyl(methyl)amino]methyl]butanamide;ethane
CID 143677935
dimethyl (2R,4S)-2-ethyl-4-methylpentanedioate
CID 101071261
2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine
CID 106114512
methyl 4-chloro-2-ethyl-4-oxobutanoate
CID 21338185

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[methyl(propyl)amino]methyl]butanoate?
The IUPAC name of methyl 2-[[methyl(propyl)amino]methyl]butanoate (CID 115253043) is methyl 2-[[methyl(propyl)amino]methyl]butanoate.
What is the SMILES notation for methyl 2-[[methyl(propyl)amino]methyl]butanoate?
The canonical SMILES for methyl 2-[[methyl(propyl)amino]methyl]butanoate is CCCN(C)CC(CC)C(=O)OC.
What is the InChIKey of methyl 2-[[methyl(propyl)amino]methyl]butanoate?
The InChIKey is MFZLTEVFTMUZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-7-11(3)8-9(6-2)10(12)13-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 2-[[methyl(propyl)amino]methyl]butanoate?
methyl 2-[[methyl(propyl)amino]methyl]butanoate has a molecular weight of 187.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[methyl(propyl)amino]methyl]butanoate is sourced from PubChem (CID 115253043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).