(3R)-3-amino-6-hydroxy-4-oxohexanoic acid

C6H11NO4 — CID 87490126

IUPAC(3R)-3-amino-6-hydroxy-4-oxohexanoic acid
SMILESN[C@H](CC(=O)O)C(=O)CCO
InChIInChI=1S/C6H11NO4/c7-4(3-6(10)11)5(9)1-2-8/h4,8H,1-3,7H2,(H,10,11)/t4-/m1/s1
InChIKeyNRLRDWRHPFFSTA-SCSAIBSYSA-N
MW161.16 g/mol
LogP-1.26
Rot. Bonds5

About (3R)-3-amino-6-hydroxy-4-oxohexanoic acid

(3R)-3-amino-6-hydroxy-4-oxohexanoic acid (PubChem CID 87490126) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (3R)-3-amino-6-hydroxy-4-oxohexanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-6-hydroxy-4-oxohexanoic acid
PubChem CID87490126
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(3R)-3-amino-6-hydroxy-4-oxohexanoic acid
SMILESN[C@H](CC(=O)O)C(=O)CCO
InChIInChI=1S/C6H11NO4/c7-4(3-6(10)11)5(9)1-2-8/h4,8H,1-3,7H2,(H,10,11)/t4-/m1/s1
InChIKeyNRLRDWRHPFFSTA-SCSAIBSYSA-N
XLogP-1.26
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-amino-4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutanoic acid
CID 22791850
2-aminobutanedioic acid;selane
CID 174828111
tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
2-aminobutanedioic acid;molybdenum
CID 76550864
tris((2S)-2-aminobutanedioic acid);phosphane
CID 172741864
azanium (2S)-2-aminobutanedioic acid
CID 10130050
CID 131864134
CID 131864134
2-aminobutanedioic acid;bis(2-aminopropanoic acid)
CID 154929079
(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 162130490
3-amino-4-hydrazinyl-4-oxobutanoic acid
CID 18780182

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-6-hydroxy-4-oxohexanoic acid?
The IUPAC name of (3R)-3-amino-6-hydroxy-4-oxohexanoic acid (CID 87490126) is (3R)-3-amino-6-hydroxy-4-oxohexanoic acid.
What is the SMILES notation for (3R)-3-amino-6-hydroxy-4-oxohexanoic acid?
The canonical SMILES for (3R)-3-amino-6-hydroxy-4-oxohexanoic acid is N[C@H](CC(=O)O)C(=O)CCO.
What is the InChIKey of (3R)-3-amino-6-hydroxy-4-oxohexanoic acid?
The InChIKey is NRLRDWRHPFFSTA-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H11NO4/c7-4(3-6(10)11)5(9)1-2-8/h4,8H,1-3,7H2,(H,10,11)/t4-/m1/s1.
What are the key properties of (3R)-3-amino-6-hydroxy-4-oxohexanoic acid?
(3R)-3-amino-6-hydroxy-4-oxohexanoic acid has a molecular weight of 161.16 g/mol, XLogP of -1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-6-hydroxy-4-oxohexanoic acid is sourced from PubChem (CID 87490126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).