3-amino-4-hydroxypentan-2-one;4-hydroxypentan-2-one

C10H21NO4 — CID 159964443

IUPAC3-amino-4-hydroxypentan-2-one;4-hydroxypentan-2-one
SMILESCC(=O)C(N)C(C)O.CC(=O)CC(C)O
InChIInChI=1S/C5H11NO2.C5H10O2/c1-3(7)5(6)4(2)8;1-4(6)3-5(2)7/h3,5,7H,6H2,1-2H3;4,6H,3H2,1-2H3
InChIKeyODTCTOVQGCICSV-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.37
Rot. Bonds4

About 3-amino-4-hydroxypentan-2-one;4-hydroxypentan-2-one

3-amino-4-hydroxypentan-2-one;4-hydroxypentan-2-one (PubChem CID 159964443) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-amino-4-hydroxypentan-2-one;4-hydroxypentan-2-one.

Molecular Properties

Compound Name3-amino-4-hydroxypentan-2-one;4-hydroxypentan-2-one
PubChem CID159964443
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name3-amino-4-hydroxypentan-2-one;4-hydroxypentan-2-one
SMILESCC(=O)C(N)C(C)O.CC(=O)CC(C)O
InChIInChI=1S/C5H11NO2.C5H10O2/c1-3(7)5(6)4(2)8;1-4(6)3-5(2)7/h3,5,7H,6H2,1-2H3;4,6H,3H2,1-2H3
InChIKeyODTCTOVQGCICSV-UHFFFAOYSA-N
XLogP-0.37
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxypentan-2-one;4-hydroxypentan-2-one?
The IUPAC name of 3-amino-4-hydroxypentan-2-one;4-hydroxypentan-2-one (CID 159964443) is 3-amino-4-hydroxypentan-2-one;4-hydroxypentan-2-one.
What is the SMILES notation for 3-amino-4-hydroxypentan-2-one;4-hydroxypentan-2-one?
The canonical SMILES for 3-amino-4-hydroxypentan-2-one;4-hydroxypentan-2-one is CC(=O)C(N)C(C)O.CC(=O)CC(C)O.
What is the InChIKey of 3-amino-4-hydroxypentan-2-one;4-hydroxypentan-2-one?
The InChIKey is ODTCTOVQGCICSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C5H10O2/c1-3(7)5(6)4(2)8;1-4(6)3-5(2)7/h3,5,7H,6H2,1-2H3;4,6H,3H2,1-2H3.
What are the key properties of 3-amino-4-hydroxypentan-2-one;4-hydroxypentan-2-one?
3-amino-4-hydroxypentan-2-one;4-hydroxypentan-2-one has a molecular weight of 219.28 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxypentan-2-one;4-hydroxypentan-2-one is sourced from PubChem (CID 159964443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).