(3S)-1-amino-3-hydroxypentan-2-one

C5H11NO2 — CID 126711962

IUPAC(3S)-1-amino-3-hydroxypentan-2-one
SMILESCC[C@H](O)C(=O)CN
InChIInChI=1S/C5H11NO2/c1-2-4(7)5(8)3-6/h4,7H,2-3,6H2,1H3/t4-/m0/s1
InChIKeyRMAWBLSUMBEYEV-BYPYZUCNSA-N
MW117.15 g/mol
LogP-0.71
Rot. Bonds3

About (3S)-1-amino-3-hydroxypentan-2-one

(3S)-1-amino-3-hydroxypentan-2-one (PubChem CID 126711962) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (3S)-1-amino-3-hydroxypentan-2-one.

Molecular Properties

Compound Name(3S)-1-amino-3-hydroxypentan-2-one
PubChem CID126711962
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(3S)-1-amino-3-hydroxypentan-2-one
SMILESCC[C@H](O)C(=O)CN
InChIInChI=1S/C5H11NO2/c1-2-4(7)5(8)3-6/h4,7H,2-3,6H2,1H3/t4-/m0/s1
InChIKeyRMAWBLSUMBEYEV-BYPYZUCNSA-N
XLogP-0.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-3-hydroxybutan-2-one
CID 54430625
3-Hydroxy amino pentan-2-one
CID 126711973
5-Amino-4-fluoro-3-hydroxypentan-2-one
CID 137531174
5-Amino-4,4-difluoro-3-hydroxypentan-2-one
CID 137531331
(3R,4R)-5-amino-4-fluoro-3-hydroxypentan-2-one
CID 152889116
6-Amino-5-fluoro-4-hydroxyhexan-3-one
CID 176918141
2-Amino-4-hydroxypentan-3-one
CID 22506513
(2S)-2-amino-4-hydroxypentan-3-one
CID 56991970
(3S)-5-amino-3-hydroxypentan-2-one
CID 59136296
5-Amino-3-hydroxypentan-2-one
CID 72526116
3-Hydroxy-5-(methylamino)pentan-2-one
CID 89291505
5-Amino-3-hydroxy-4-methylpentan-2-one
CID 89678365

Frequently Asked Questions

What is the IUPAC name of (3S)-1-amino-3-hydroxypentan-2-one?
The IUPAC name of (3S)-1-amino-3-hydroxypentan-2-one (CID 126711962) is (3S)-1-amino-3-hydroxypentan-2-one.
What is the SMILES notation for (3S)-1-amino-3-hydroxypentan-2-one?
The canonical SMILES for (3S)-1-amino-3-hydroxypentan-2-one is CC[C@H](O)C(=O)CN.
What is the InChIKey of (3S)-1-amino-3-hydroxypentan-2-one?
The InChIKey is RMAWBLSUMBEYEV-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO2/c1-2-4(7)5(8)3-6/h4,7H,2-3,6H2,1H3/t4-/m0/s1.
What are the key properties of (3S)-1-amino-3-hydroxypentan-2-one?
(3S)-1-amino-3-hydroxypentan-2-one has a molecular weight of 117.15 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-amino-3-hydroxypentan-2-one is sourced from PubChem (CID 126711962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).