(3R,4R)-4-amino-3-hydroxypentan-2-one

C5H11NO2 — CID 59046379

IUPAC(3R,4R)-4-amino-3-hydroxypentan-2-one
SMILESCC(=O)[C@H](O)[C@@H](C)N
InChIInChI=1S/C5H11NO2/c1-3(6)5(8)4(2)7/h3,5,8H,6H2,1-2H3/t3-,5-/m1/s1
InChIKeyHUFAKYNDKPIYQD-NQXXGFSBSA-N
MW117.15 g/mol
LogP-0.72
Rot. Bonds2

About (3R,4R)-4-amino-3-hydroxypentan-2-one

(3R,4R)-4-amino-3-hydroxypentan-2-one (PubChem CID 59046379) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (3R,4R)-4-amino-3-hydroxypentan-2-one.

Molecular Properties

Compound Name(3R,4R)-4-amino-3-hydroxypentan-2-one
PubChem CID59046379
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(3R,4R)-4-amino-3-hydroxypentan-2-one
SMILESCC(=O)[C@H](O)[C@@H](C)N
InChIInChI=1S/C5H11NO2/c1-3(6)5(8)4(2)7/h3,5,8H,6H2,1-2H3/t3-,5-/m1/s1
InChIKeyHUFAKYNDKPIYQD-NQXXGFSBSA-N
XLogP-0.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-amino-2-hydroxybutanoic acid
CID 10997015
acetic acid;1-aminoethanol
CID 87647185
(3R,4S)-4-amino-3-hydroxyhexan-2-one
CID 138626459
methyl 3-amino-2-hydroxybutanoate;hydrochloride
CID 135262653
acetic acid;(2S)-2-aminopropanoic acid
CID 87112640
acetic acid;(2S)-2-aminopropanoic acid
CID 87950802
(3R,4R,5S,6R)-3,4,5,6-tetrahydroxyheptan-2-one
CID 21126247
(3S,4R,5R,6S)-3,4,5,6-tetrahydroxyheptan-2-one
CID 89239779
ethyl (2R,3S)-3-hydroxy-2-methyl-4-oxopentanoate
CID 58991559
(4S)-4-amino-3-hydroxyheptan-2-one
CID 58331979
4,6-diamino-3,5-dihydroxyhexan-2-one
CID 134382190
acetic acid;ethane-1,1-diamine
CID 157325550

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-3-hydroxypentan-2-one?
The IUPAC name of (3R,4R)-4-amino-3-hydroxypentan-2-one (CID 59046379) is (3R,4R)-4-amino-3-hydroxypentan-2-one.
What is the SMILES notation for (3R,4R)-4-amino-3-hydroxypentan-2-one?
The canonical SMILES for (3R,4R)-4-amino-3-hydroxypentan-2-one is CC(=O)[C@H](O)[C@@H](C)N.
What is the InChIKey of (3R,4R)-4-amino-3-hydroxypentan-2-one?
The InChIKey is HUFAKYNDKPIYQD-NQXXGFSBSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3(6)5(8)4(2)7/h3,5,8H,6H2,1-2H3/t3-,5-/m1/s1.
What are the key properties of (3R,4R)-4-amino-3-hydroxypentan-2-one?
(3R,4R)-4-amino-3-hydroxypentan-2-one has a molecular weight of 117.15 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-3-hydroxypentan-2-one is sourced from PubChem (CID 59046379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).