ethyl 2-(butanoylamino)-3-hydroxybutanoate

C10H19NO4 — CID 89093680

IUPACethyl 2-(butanoylamino)-3-hydroxybutanoate
SMILESCCCC(=O)NC(C(=O)OCC)C(C)O
InChIInChI=1S/C10H19NO4/c1-4-6-8(13)11-9(7(3)12)10(14)15-5-2/h7,9,12H,4-6H2,1-3H3,(H,11,13)
InChIKeyMXUHFLVQIMMURR-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.22
Rot. Bonds6

About ethyl 2-(butanoylamino)-3-hydroxybutanoate

ethyl 2-(butanoylamino)-3-hydroxybutanoate (PubChem CID 89093680) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl 2-(butanoylamino)-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 2-(butanoylamino)-3-hydroxybutanoate
PubChem CID89093680
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl 2-(butanoylamino)-3-hydroxybutanoate
SMILESCCCC(=O)NC(C(=O)OCC)C(C)O
InChIInChI=1S/C10H19NO4/c1-4-6-8(13)11-9(7(3)12)10(14)15-5-2/h7,9,12H,4-6H2,1-3H3,(H,11,13)
InChIKeyMXUHFLVQIMMURR-UHFFFAOYSA-N
XLogP0.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-chloropropanoylamino)-3-methylpentanoate
CID 82110698
diethyl 2-(butanoylamino)propanedioate
CID 13130446
ethyl (2R)-2-[[(3S)-3-hydroxybutanoyl]amino]-3-methylbutanoate
CID 170194218
ethyl (2S,3R)-3-hydroxy-2-(2-methylpropylamino)butanoate
CID 46217227
ethyl (3R)-3-(butanoylamino)-4-methylpentanoate
CID 102302423
(2S,3R)-2-(4-ethoxybutanoylamino)-3-hydroxybutanoic acid
CID 104964904
methyl (2S,3S)-3-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]butanoate
CID 169210967
tert-butyl (2R)-2-(butanoylamino)-3-methylbutanoate
CID 81003946
ethyl (3S)-3-(butanoylamino)-4-ethylhexanoate
CID 102302426
ethyl 2-(5-aminopentanoylamino)-3-methylpent-4-enoate
CID 143382231
ethyl (3S)-3-(butanoylamino)pentanoate
CID 102302420
(2S)-2-(hexanoylamino)-3-hydroxybutanoic acid
CID 88714343

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(butanoylamino)-3-hydroxybutanoate?
The IUPAC name of ethyl 2-(butanoylamino)-3-hydroxybutanoate (CID 89093680) is ethyl 2-(butanoylamino)-3-hydroxybutanoate.
What is the SMILES notation for ethyl 2-(butanoylamino)-3-hydroxybutanoate?
The canonical SMILES for ethyl 2-(butanoylamino)-3-hydroxybutanoate is CCCC(=O)NC(C(=O)OCC)C(C)O.
What is the InChIKey of ethyl 2-(butanoylamino)-3-hydroxybutanoate?
The InChIKey is MXUHFLVQIMMURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-6-8(13)11-9(7(3)12)10(14)15-5-2/h7,9,12H,4-6H2,1-3H3,(H,11,13).
What are the key properties of ethyl 2-(butanoylamino)-3-hydroxybutanoate?
ethyl 2-(butanoylamino)-3-hydroxybutanoate has a molecular weight of 217.26 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(butanoylamino)-3-hydroxybutanoate is sourced from PubChem (CID 89093680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).