ethyl (3S)-3-(butanoylamino)pentanoate

C11H21NO3 — CID 102302420

IUPACethyl (3S)-3-(butanoylamino)pentanoate
SMILESCCCC(=O)N[C@@H](CC)CC(=O)OCC
InChIInChI=1S/C11H21NO3/c1-4-7-10(13)12-9(5-2)8-11(14)15-6-3/h9H,4-8H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyKOQXFUIIHLBQGE-VIFPVBQESA-N
MW215.29 g/mol
LogP1.63
Rot. Bonds7

About ethyl (3S)-3-(butanoylamino)pentanoate

ethyl (3S)-3-(butanoylamino)pentanoate (PubChem CID 102302420) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl (3S)-3-(butanoylamino)pentanoate.

Molecular Properties

Compound Nameethyl (3S)-3-(butanoylamino)pentanoate
PubChem CID102302420
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl (3S)-3-(butanoylamino)pentanoate
SMILESCCCC(=O)N[C@@H](CC)CC(=O)OCC
InChIInChI=1S/C11H21NO3/c1-4-7-10(13)12-9(5-2)8-11(14)15-6-3/h9H,4-8H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyKOQXFUIIHLBQGE-VIFPVBQESA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-3-(butanoylamino)-4-ethylhexanoate
CID 102302426
ethyl (3R)-3-(butanoylamino)-4-methylpentanoate
CID 102302423
ethyl 3-(carbamothioylamino)pentanoate
CID 142892451
diethyl 2-(butanoylamino)propanedioate
CID 13130446
ethyl 4-acetamidohexanoate
CID 173385826
ethyl 2-(butanoylamino)-3-hydroxybutanoate
CID 89093680
ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
3-chloro-N-pentan-3-ylpropanamide
CID 16783824
diethyl 2-hydroxybutanedioate;diethyl propanedioate
CID 174923020
methyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate
CID 110476824
diethyl (2S)-2-[[9-[[(2R)-1,5-diethoxy-1,5-dioxopentan-2-yl]amino]-9-oxononanoyl]amino]pentanedioate
CID 92532578

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-(butanoylamino)pentanoate?
The IUPAC name of ethyl (3S)-3-(butanoylamino)pentanoate (CID 102302420) is ethyl (3S)-3-(butanoylamino)pentanoate.
What is the SMILES notation for ethyl (3S)-3-(butanoylamino)pentanoate?
The canonical SMILES for ethyl (3S)-3-(butanoylamino)pentanoate is CCCC(=O)N[C@@H](CC)CC(=O)OCC.
What is the InChIKey of ethyl (3S)-3-(butanoylamino)pentanoate?
The InChIKey is KOQXFUIIHLBQGE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-7-10(13)12-9(5-2)8-11(14)15-6-3/h9H,4-8H2,1-3H3,(H,12,13)/t9-/m0/s1.
What are the key properties of ethyl (3S)-3-(butanoylamino)pentanoate?
ethyl (3S)-3-(butanoylamino)pentanoate has a molecular weight of 215.29 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-(butanoylamino)pentanoate is sourced from PubChem (CID 102302420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).