methyl 3-ethyl-2-(2-methylpropylamino)pentanoate

C12H25NO2 — CID 61317915

IUPACmethyl 3-ethyl-2-(2-methylpropylamino)pentanoate
SMILESCCC(CC)C(NCC(C)C)C(=O)OC
InChIInChI=1S/C12H25NO2/c1-6-10(7-2)11(12(14)15-5)13-8-9(3)4/h9-11,13H,6-8H2,1-5H3
InChIKeyWYZQUNUGGGATDU-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.21
Rot. Bonds7

About methyl 3-ethyl-2-(2-methylpropylamino)pentanoate

methyl 3-ethyl-2-(2-methylpropylamino)pentanoate (PubChem CID 61317915) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is methyl 3-ethyl-2-(2-methylpropylamino)pentanoate.

Molecular Properties

Compound Namemethyl 3-ethyl-2-(2-methylpropylamino)pentanoate
PubChem CID61317915
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namemethyl 3-ethyl-2-(2-methylpropylamino)pentanoate
SMILESCCC(CC)C(NCC(C)C)C(=O)OC
InChIInChI=1S/C12H25NO2/c1-6-10(7-2)11(12(14)15-5)13-8-9(3)4/h9-11,13H,6-8H2,1-5H3
InChIKeyWYZQUNUGGGATDU-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S,3R)-3-hydroxy-2-(2-methylpropylamino)butanoate
CID 46217227
methyl (2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoate
CID 97038427
methyl (2R)-2-amino-3-ethylpentanoate;hydrochloride
CID 87789576
methyl 2-methyl-4-(2-methylpropylamino)pentanoate
CID 104645979
ethyl 3-ethyl-2-(prop-2-enylamino)pentanoate
CID 62354098
methyl 2-(cyclohexylamino)-3-ethylpentanoate
CID 61318514
3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine
CID 65386054
methyl (2S)-2-(2-ethylbutylamino)propanoate
CID 43723607
methyl 2-(dodecylamino)-3-methylbutanoate
CID 63402058
methyl 2-(cyclopropylmethylamino)-3-methylpentanoate
CID 43732464
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
methyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate
CID 107441353

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-2-(2-methylpropylamino)pentanoate?
The IUPAC name of methyl 3-ethyl-2-(2-methylpropylamino)pentanoate (CID 61317915) is methyl 3-ethyl-2-(2-methylpropylamino)pentanoate.
What is the SMILES notation for methyl 3-ethyl-2-(2-methylpropylamino)pentanoate?
The canonical SMILES for methyl 3-ethyl-2-(2-methylpropylamino)pentanoate is CCC(CC)C(NCC(C)C)C(=O)OC.
What is the InChIKey of methyl 3-ethyl-2-(2-methylpropylamino)pentanoate?
The InChIKey is WYZQUNUGGGATDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-10(7-2)11(12(14)15-5)13-8-9(3)4/h9-11,13H,6-8H2,1-5H3.
What are the key properties of methyl 3-ethyl-2-(2-methylpropylamino)pentanoate?
methyl 3-ethyl-2-(2-methylpropylamino)pentanoate has a molecular weight of 215.34 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-2-(2-methylpropylamino)pentanoate is sourced from PubChem (CID 61317915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).