2-amino-3-hydroxypropanethial

C3H7NOS — CID 54090102

IUPAC2-amino-3-hydroxypropanethial
SMILESNC(C=S)CO
InChIInChI=1S/C3H7NOS/c4-3(1-5)2-6/h2-3,5H,1,4H2
InChIKeyBFOJOZXYRRTICT-UHFFFAOYSA-N
MW105.16 g/mol
LogP-0.69
Rot. Bonds2

About 2-amino-3-hydroxypropanethial

2-amino-3-hydroxypropanethial (PubChem CID 54090102) has the molecular formula C3H7NOS and a molecular weight of 105.16 g/mol. Its IUPAC name is 2-amino-3-hydroxypropanethial.

Molecular Properties

Compound Name2-amino-3-hydroxypropanethial
PubChem CID54090102
Molecular FormulaC3H7NOS
Molecular Weight105.16 g/mol
Exact Mass105.02
IUPAC Name2-amino-3-hydroxypropanethial
SMILESNC(C=S)CO
InChIInChI=1S/C3H7NOS/c4-3(1-5)2-6/h2-3,5H,1,4H2
InChIKeyBFOJOZXYRRTICT-UHFFFAOYSA-N
XLogP-0.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-aminobutanedithial
CID 126510085
(E,2S)-2-aminopent-3-en-1-ol
CID 55283755
(E,2S)-2-aminopent-3-en-1-ol;hydrochloride
CID 165429169
(Z)-2-amino-4-(methylamino)but-3-en-1-ol
CID 89418510
(1R)-1-aminoethane-1,2-diol
CID 140649256
2-aminopropane-1,1,1,3-tetrol
CID 150672283
2,3,4,5-tetrahydroxypentanethial
CID 18533987
2-aminopropan-1-ol;hydrofluoride
CID 22617394
gold;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial
CID 87532917
(E)-2-amino-5-cyclopropyl-6-methylhept-3-en-1-ol
CID 21282977
(2S)-2-amino-3-methylbutane-1,3-diol
CID 15780959
CID 59233631
CID 59233631

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxypropanethial?
The IUPAC name of 2-amino-3-hydroxypropanethial (CID 54090102) is 2-amino-3-hydroxypropanethial.
What is the SMILES notation for 2-amino-3-hydroxypropanethial?
The canonical SMILES for 2-amino-3-hydroxypropanethial is NC(C=S)CO.
What is the InChIKey of 2-amino-3-hydroxypropanethial?
The InChIKey is BFOJOZXYRRTICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOS/c4-3(1-5)2-6/h2-3,5H,1,4H2.
What are the key properties of 2-amino-3-hydroxypropanethial?
2-amino-3-hydroxypropanethial has a molecular weight of 105.16 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxypropanethial is sourced from PubChem (CID 54090102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).