ethyl (2R)-4-methyl-2-(propylamino)pentanoate

C11H23NO2 — CID 162404690

IUPACethyl (2R)-4-methyl-2-(propylamino)pentanoate
SMILESCCCN[C@H](CC(C)C)C(=O)OCC
InChIInChI=1S/C11H23NO2/c1-5-7-12-10(8-9(3)4)11(13)14-6-2/h9-10,12H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyKHCBYAVSMCFERD-SNVBAGLBSA-N
MW201.31 g/mol
LogP1.96
Rot. Bonds7

About ethyl (2R)-4-methyl-2-(propylamino)pentanoate

ethyl (2R)-4-methyl-2-(propylamino)pentanoate (PubChem CID 162404690) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl (2R)-4-methyl-2-(propylamino)pentanoate.

Molecular Properties

Compound Nameethyl (2R)-4-methyl-2-(propylamino)pentanoate
PubChem CID162404690
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl (2R)-4-methyl-2-(propylamino)pentanoate
SMILESCCCN[C@H](CC(C)C)C(=O)OCC
InChIInChI=1S/C11H23NO2/c1-5-7-12-10(8-9(3)4)11(13)14-6-2/h9-10,12H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyKHCBYAVSMCFERD-SNVBAGLBSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 75971
Ethyl L-leucinate hydrochloride
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Ethyl DL-leucinate hydrochloride
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Methyl N-acetyl-L-leucinate
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(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid
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ethyl (2R)-2-amino-4-methylpentanoate hydrochloride
CID 11600850
ethyl (2S)-2-acetamido-3-methylbutanoate
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Methyl (2S)-2-(2-aminoacetamido)-4-methylpentanoate
CID 13751931
Leucine-proline anhydride
CID 57275499
Ethyl 2-acetamido-4-methylpentanoate
CID 322674
Methyl 4-methyl-2-(methylamino)pentanoate hydrochloride
CID 85609281
L-Leucine, ethyl ester, hydrochloride (1:1)
CID 11658447

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-4-methyl-2-(propylamino)pentanoate?
The IUPAC name of ethyl (2R)-4-methyl-2-(propylamino)pentanoate (CID 162404690) is ethyl (2R)-4-methyl-2-(propylamino)pentanoate.
What is the SMILES notation for ethyl (2R)-4-methyl-2-(propylamino)pentanoate?
The canonical SMILES for ethyl (2R)-4-methyl-2-(propylamino)pentanoate is CCCN[C@H](CC(C)C)C(=O)OCC.
What is the InChIKey of ethyl (2R)-4-methyl-2-(propylamino)pentanoate?
The InChIKey is KHCBYAVSMCFERD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-7-12-10(8-9(3)4)11(13)14-6-2/h9-10,12H,5-8H2,1-4H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-4-methyl-2-(propylamino)pentanoate?
ethyl (2R)-4-methyl-2-(propylamino)pentanoate has a molecular weight of 201.31 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-4-methyl-2-(propylamino)pentanoate is sourced from PubChem (CID 162404690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).