tert-butyl 2-(ethylamino)-4-methylpentanoate

C12H25NO2 — CID 142936593

IUPACtert-butyl 2-(ethylamino)-4-methylpentanoate
SMILESCCNC(CC(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-7-13-10(8-9(2)3)11(14)15-12(4,5)6/h9-10,13H,7-8H2,1-6H3
InChIKeyDNAYFMVLUNQFPG-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.35
Rot. Bonds5

About tert-butyl 2-(ethylamino)-4-methylpentanoate

tert-butyl 2-(ethylamino)-4-methylpentanoate (PubChem CID 142936593) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is tert-butyl 2-(ethylamino)-4-methylpentanoate.

Molecular Properties

Compound Nametert-butyl 2-(ethylamino)-4-methylpentanoate
PubChem CID142936593
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nametert-butyl 2-(ethylamino)-4-methylpentanoate
SMILESCCNC(CC(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-7-13-10(8-9(2)3)11(14)15-12(4,5)6/h9-10,13H,7-8H2,1-6H3
InChIKeyDNAYFMVLUNQFPG-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-(2,2-dimethylpropylamino)-4-methylpentanoate
CID 86641982
tert-butyl 2-(ethylamino)-3-hydroxypropanoate
CID 146238971
tert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate
CID 86641981
tert-butyl (2S)-2-(2-hydroxydodecylamino)-4-methylpentanoate
CID 42638854
tert-butyl (2S)-2-(3-hydroxypropanoylamino)-4-methylpentanoate
CID 10753776
tert-butyl 4-methyl-2-(prop-2-enoylamino)pentanoate
CID 85256183
tert-butyl 2-(2-methylpropylamino)pentanoate
CID 75458085
tert-butyl (2S)-2-(hexadecanoylamino)-4-methylpentanoate
CID 129080018
tert-butyl (2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoate
CID 175818879
tert-butyl N-[(2S)-1-(ethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 7038768
tert-butyl 2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]-4-methylpentanoate
CID 67347167
tert-butyl (2R)-2-hydrazinylbutanoate
CID 140972061

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(ethylamino)-4-methylpentanoate?
The IUPAC name of tert-butyl 2-(ethylamino)-4-methylpentanoate (CID 142936593) is tert-butyl 2-(ethylamino)-4-methylpentanoate.
What is the SMILES notation for tert-butyl 2-(ethylamino)-4-methylpentanoate?
The canonical SMILES for tert-butyl 2-(ethylamino)-4-methylpentanoate is CCNC(CC(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(ethylamino)-4-methylpentanoate?
The InChIKey is DNAYFMVLUNQFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-7-13-10(8-9(2)3)11(14)15-12(4,5)6/h9-10,13H,7-8H2,1-6H3.
What are the key properties of tert-butyl 2-(ethylamino)-4-methylpentanoate?
tert-butyl 2-(ethylamino)-4-methylpentanoate has a molecular weight of 215.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(ethylamino)-4-methylpentanoate is sourced from PubChem (CID 142936593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).