(2S)-2-hydroxypropanimidamide

C3H8N2O — CID 6347024

IUPAC(2S)-2-hydroxypropanimidamide
SMILES[H]/N=C(\N)[C@H](C)O
InChIInChI=1S/C3H8N2O/c1-2(6)3(4)5/h2,6H,1H3,(H3,4,5)/t2-/m0/s1
InChIKeyHLGDWKWUYZNZIF-REOHCLBHSA-N
MW88.11 g/mol
LogP-0.70
Rot. Bonds1

About (2S)-2-hydroxypropanimidamide

(2S)-2-hydroxypropanimidamide (PubChem CID 6347024) has the molecular formula C3H8N2O and a molecular weight of 88.11 g/mol. Its IUPAC name is (2S)-2-hydroxypropanimidamide.

Molecular Properties

Compound Name(2S)-2-hydroxypropanimidamide
PubChem CID6347024
Molecular FormulaC3H8N2O
Molecular Weight88.11 g/mol
Exact Mass88.06
IUPAC Name(2S)-2-hydroxypropanimidamide
SMILES[H]/N=C(\N)[C@H](C)O
InChIInChI=1S/C3H8N2O/c1-2(6)3(4)5/h2,6H,1H3,(H3,4,5)/t2-/m0/s1
InChIKeyHLGDWKWUYZNZIF-REOHCLBHSA-N
XLogP-0.70
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxypropanimidamide?
The IUPAC name of (2S)-2-hydroxypropanimidamide (CID 6347024) is (2S)-2-hydroxypropanimidamide.
What is the SMILES notation for (2S)-2-hydroxypropanimidamide?
The canonical SMILES for (2S)-2-hydroxypropanimidamide is [H]/N=C(\N)[C@H](C)O.
What is the InChIKey of (2S)-2-hydroxypropanimidamide?
The InChIKey is HLGDWKWUYZNZIF-REOHCLBHSA-N. The full InChI is InChI=1S/C3H8N2O/c1-2(6)3(4)5/h2,6H,1H3,(H3,4,5)/t2-/m0/s1.
What are the key properties of (2S)-2-hydroxypropanimidamide?
(2S)-2-hydroxypropanimidamide has a molecular weight of 88.11 g/mol, XLogP of -0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxypropanimidamide is sourced from PubChem (CID 6347024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).