(2S)-6-amino-2-(butanoylamino)-3-hydroxyhexanoic acid

C10H20N2O4 — CID 174901416

IUPAC(2S)-6-amino-2-(butanoylamino)-3-hydroxyhexanoic acid
SMILESCCCC(=O)N[C@H](C(=O)O)C(O)CCCN
InChIInChI=1S/C10H20N2O4/c1-2-4-8(14)12-9(10(15)16)7(13)5-3-6-11/h7,9,13H,2-6,11H2,1H3,(H,12,14)(H,15,16)/t7?,9-/m0/s1
InChIKeyWPRXYQXSXLIQEX-NETXQHHPSA-N
MW232.28 g/mol
LogP-0.54
Rot. Bonds8

About (2S)-6-amino-2-(butanoylamino)-3-hydroxyhexanoic acid

(2S)-6-amino-2-(butanoylamino)-3-hydroxyhexanoic acid (PubChem CID 174901416) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S)-6-amino-2-(butanoylamino)-3-hydroxyhexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(butanoylamino)-3-hydroxyhexanoic acid
PubChem CID174901416
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2S)-6-amino-2-(butanoylamino)-3-hydroxyhexanoic acid
SMILESCCCC(=O)N[C@H](C(=O)O)C(O)CCCN
InChIInChI=1S/C10H20N2O4/c1-2-4-8(14)12-9(10(15)16)7(13)5-3-6-11/h7,9,13H,2-6,11H2,1H3,(H,12,14)(H,15,16)/t7?,9-/m0/s1
InChIKeyWPRXYQXSXLIQEX-NETXQHHPSA-N
XLogP-0.54
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-aminobutanoylamino)pentanoic acid
CID 103869889
2-[[2-(decanoylamino)-3-hydroxyheptanoyl]amino]-3-hydroxybutanoic acid
CID 141347292
(2S)-5-amino-2-(decanoylamino)pentanoic acid
CID 54420497
(2S)-2-(5-aminopentanoylamino)pentanoic acid
CID 103869799
(2S)-2-(hexanoylamino)-3-hydroxybutanoic acid
CID 88714343
2-(6-aminohexanoylamino)-3-methylbutanoic acid
CID 61157155
3-hydroxy-2-(icosanoylamino)butanoic acid
CID 18762052
(2S)-2-(3-aminopropanoylamino)hexanoic acid
CID 22212413
3-hydroxy-2-(octadecanoylamino)butanoic acid
CID 5033246
N-[4-amino-1-(octadecanoylamino)butyl]octadecanamide
CID 141044961
2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid
CID 82012633
(2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid
CID 90103155

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(butanoylamino)-3-hydroxyhexanoic acid?
The IUPAC name of (2S)-6-amino-2-(butanoylamino)-3-hydroxyhexanoic acid (CID 174901416) is (2S)-6-amino-2-(butanoylamino)-3-hydroxyhexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(butanoylamino)-3-hydroxyhexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(butanoylamino)-3-hydroxyhexanoic acid is CCCC(=O)N[C@H](C(=O)O)C(O)CCCN.
What is the InChIKey of (2S)-6-amino-2-(butanoylamino)-3-hydroxyhexanoic acid?
The InChIKey is WPRXYQXSXLIQEX-NETXQHHPSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-2-4-8(14)12-9(10(15)16)7(13)5-3-6-11/h7,9,13H,2-6,11H2,1H3,(H,12,14)(H,15,16)/t7?,9-/m0/s1.
What are the key properties of (2S)-6-amino-2-(butanoylamino)-3-hydroxyhexanoic acid?
(2S)-6-amino-2-(butanoylamino)-3-hydroxyhexanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.54, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(butanoylamino)-3-hydroxyhexanoic acid is sourced from PubChem (CID 174901416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).