1-amino-5-hydroxypentan-2-one;molecular hydrogen

C5H13NO2 — CID 158297094

IUPAC1-amino-5-hydroxypentan-2-one;molecular hydrogen
SMILESNCC(=O)CCCO.[H][H]
InChIInChI=1S/C5H11NO2.H2/c6-4-5(8)2-1-3-7;/h7H,1-4,6H2;1H
InChIKeyGMAVPMDVFAUTIK-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.47
Rot. Bonds4

About 1-amino-5-hydroxypentan-2-one;molecular hydrogen

1-amino-5-hydroxypentan-2-one;molecular hydrogen (PubChem CID 158297094) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 1-amino-5-hydroxypentan-2-one;molecular hydrogen.

Molecular Properties

Compound Name1-amino-5-hydroxypentan-2-one;molecular hydrogen
PubChem CID158297094
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name1-amino-5-hydroxypentan-2-one;molecular hydrogen
SMILESNCC(=O)CCCO.[H][H]
InChIInChI=1S/C5H11NO2.H2/c6-4-5(8)2-1-3-7;/h7H,1-4,6H2;1H
InChIKeyGMAVPMDVFAUTIK-UHFFFAOYSA-N
XLogP-0.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-hydroxybutan-2-one
CID 13368156
1-amino-3-hydroxypropan-2-one
CID 10909488
5-(15N)azanyl-4-oxopentanoic acid
CID 11018904
5-amino-4-oxopentanoic acid;2-hydroxyacetic acid
CID 50943305
8-amino-4,7-dioxooctanoic acid
CID 161356163
4-hydroxybutanoic acid;iron
CID 175070991
4-hydroxybutanoic acid;yttrium
CID 58261226
1,11-dihydroxyundecan-6-one
CID 14015246
4-hydroxybutanethioic S-acid
CID 21407745
1-amino-5-(dimethylamino)pentan-2-one
CID 160666073
methyl 7-amino-6-oxoheptanoate
CID 86034752
15-hydroxy-6-oxopentadecanoic acid
CID 154126593

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-hydroxypentan-2-one;molecular hydrogen?
The IUPAC name of 1-amino-5-hydroxypentan-2-one;molecular hydrogen (CID 158297094) is 1-amino-5-hydroxypentan-2-one;molecular hydrogen.
What is the SMILES notation for 1-amino-5-hydroxypentan-2-one;molecular hydrogen?
The canonical SMILES for 1-amino-5-hydroxypentan-2-one;molecular hydrogen is NCC(=O)CCCO.[H][H].
What is the InChIKey of 1-amino-5-hydroxypentan-2-one;molecular hydrogen?
The InChIKey is GMAVPMDVFAUTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.H2/c6-4-5(8)2-1-3-7;/h7H,1-4,6H2;1H.
What are the key properties of 1-amino-5-hydroxypentan-2-one;molecular hydrogen?
1-amino-5-hydroxypentan-2-one;molecular hydrogen has a molecular weight of 119.16 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-hydroxypentan-2-one;molecular hydrogen is sourced from PubChem (CID 158297094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).