3-amino-5,5-dihydroxypentan-2-one

C5H11NO3 — CID 20668323

IUPAC3-amino-5,5-dihydroxypentan-2-one
SMILESCC(=O)C(N)CC(O)O
InChIInChI=1S/C5H11NO3/c1-3(7)4(6)2-5(8)9/h4-5,8-9H,2,6H2,1H3
InChIKeyDNWBRHIOWWVOEI-UHFFFAOYSA-N
MW133.15 g/mol
LogP-1.40
Rot. Bonds3

About 3-amino-5,5-dihydroxypentan-2-one

3-amino-5,5-dihydroxypentan-2-one (PubChem CID 20668323) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 3-amino-5,5-dihydroxypentan-2-one.

Molecular Properties

Compound Name3-amino-5,5-dihydroxypentan-2-one
PubChem CID20668323
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name3-amino-5,5-dihydroxypentan-2-one
SMILESCC(=O)C(N)CC(O)O
InChIInChI=1S/C5H11NO3/c1-3(7)4(6)2-5(8)9/h4-5,8-9H,2,6H2,1H3
InChIKeyDNWBRHIOWWVOEI-UHFFFAOYSA-N
XLogP-1.40
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-amino-6,6-dihydroxyhexan-2-one
CID 91613059
3-amino-4-methylsulfanylbutan-2-one
CID 20644498
(Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione
CID 166997414
(3S)-3-amino-4-hydroxybutan-2-one
CID 91337493
(3R)-3-amino-5-methylhept-6-en-2-one
CID 142093532
(3S,8S)-3,8-diaminodecane-2,9-dione
CID 155082610
acetic acid;3,4-diaminobutane-1,1-diol
CID 87796171
(3R)-3-amino-4-sulfanylbutan-2-one;methane
CID 160825697
(3R)-3-amino-4-oxopentanoyl iodide
CID 154979950
2-amino-4-hydroxypentanoic acid
CID 14021586
(3S)-3-amino-6-methylheptan-2-one
CID 88561356
(3R)-3-aminoheptane-2,6-dione
CID 154592232

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,5-dihydroxypentan-2-one?
The IUPAC name of 3-amino-5,5-dihydroxypentan-2-one (CID 20668323) is 3-amino-5,5-dihydroxypentan-2-one.
What is the SMILES notation for 3-amino-5,5-dihydroxypentan-2-one?
The canonical SMILES for 3-amino-5,5-dihydroxypentan-2-one is CC(=O)C(N)CC(O)O.
What is the InChIKey of 3-amino-5,5-dihydroxypentan-2-one?
The InChIKey is DNWBRHIOWWVOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-3(7)4(6)2-5(8)9/h4-5,8-9H,2,6H2,1H3.
What are the key properties of 3-amino-5,5-dihydroxypentan-2-one?
3-amino-5,5-dihydroxypentan-2-one has a molecular weight of 133.15 g/mol, XLogP of -1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,5-dihydroxypentan-2-one is sourced from PubChem (CID 20668323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).