ethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate

C11H21NO3 — CID 59838569

IUPACethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate
SMILESCCC[C@H](N[C@@H](C)C(C)=O)C(=O)OCC
InChIInChI=1S/C11H21NO3/c1-5-7-10(11(14)15-6-2)12-8(3)9(4)13/h8,10,12H,5-7H2,1-4H3/t8-,10-/m0/s1
InChIKeyREKFNWSWJXCRGL-WPRPVWTQSA-N
MW215.29 g/mol
LogP1.29
Rot. Bonds7

About ethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate

ethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate (PubChem CID 59838569) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate
PubChem CID59838569
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate
SMILESCCC[C@H](N[C@@H](C)C(C)=O)C(=O)OCC
InChIInChI=1S/C11H21NO3/c1-5-7-10(11(14)15-6-2)12-8(3)9(4)13/h8,10,12H,5-7H2,1-4H3/t8-,10-/m0/s1
InChIKeyREKFNWSWJXCRGL-WPRPVWTQSA-N
XLogP1.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2R)-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid
CID 41092480
2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoic acid
CID 13258848
ethyl 2-[(1-chloro-1-oxopropan-2-yl)amino]pentanoate
CID 58903047
ethyl 2-(6-methylheptan-2-ylamino)pentanoate
CID 83041097
ethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate
CID 69028409
ethyl (2S)-2-[[(2S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxopropan-2-yl]amino]pentanoate
CID 24758242
ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanoate
CID 83041514
ethyl 2-(pent-4-en-2-ylamino)pentanoate
CID 115663777
ethyl 2-(phosphanylamino)pentanoate
CID 59113606
ethyl 2-(2-methylpropylamino)pentanoate
CID 61001695
ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate?
The IUPAC name of ethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate (CID 59838569) is ethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate.
What is the SMILES notation for ethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate?
The canonical SMILES for ethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate is CCC[C@H](N[C@@H](C)C(C)=O)C(=O)OCC.
What is the InChIKey of ethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate?
The InChIKey is REKFNWSWJXCRGL-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-7-10(11(14)15-6-2)12-8(3)9(4)13/h8,10,12H,5-7H2,1-4H3/t8-,10-/m0/s1.
What are the key properties of ethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate?
ethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate has a molecular weight of 215.29 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate is sourced from PubChem (CID 59838569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).