1-chloro-2-[(2R)-2,3-dihydroxypropyl]guanidine

C4H10ClN3O2 — CID 118327824

IUPAC1-chloro-2-[(2R)-2,3-dihydroxypropyl]guanidine
SMILESN/C(=N\C[C@@H](O)CO)NCl
InChIInChI=1S/C4H10ClN3O2/c5-8-4(6)7-1-3(10)2-9/h3,9-10H,1-2H2,(H3,6,7,8)/t3-/m1/s1
InChIKeyGCCNFMRRHWFEBB-GSVOUGTGSA-N
MW167.60 g/mol
LogP-1.60
Rot. Bonds3

About 1-chloro-2-[(2R)-2,3-dihydroxypropyl]guanidine

1-chloro-2-[(2R)-2,3-dihydroxypropyl]guanidine (PubChem CID 118327824) has the molecular formula C4H10ClN3O2 and a molecular weight of 167.60 g/mol. Its IUPAC name is 1-chloro-2-[(2R)-2,3-dihydroxypropyl]guanidine.

Molecular Properties

Compound Name1-chloro-2-[(2R)-2,3-dihydroxypropyl]guanidine
PubChem CID118327824
Molecular FormulaC4H10ClN3O2
Molecular Weight167.60 g/mol
Exact Mass167.05
IUPAC Name1-chloro-2-[(2R)-2,3-dihydroxypropyl]guanidine
SMILESN/C(=N\C[C@@H](O)CO)NCl
InChIInChI=1S/C4H10ClN3O2/c5-8-4(6)7-1-3(10)2-9/h3,9-10H,1-2H2,(H3,6,7,8)/t3-/m1/s1
InChIKeyGCCNFMRRHWFEBB-GSVOUGTGSA-N
XLogP-1.60
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-chloro-2-[(2R)-2,3-dihydroxypropyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(2R)-2,3-dihydroxypropyl]guanidine?
The IUPAC name of 1-chloro-2-[(2R)-2,3-dihydroxypropyl]guanidine (CID 118327824) is 1-chloro-2-[(2R)-2,3-dihydroxypropyl]guanidine.
What is the SMILES notation for 1-chloro-2-[(2R)-2,3-dihydroxypropyl]guanidine?
The canonical SMILES for 1-chloro-2-[(2R)-2,3-dihydroxypropyl]guanidine is N/C(=N\C[C@@H](O)CO)NCl.
What is the InChIKey of 1-chloro-2-[(2R)-2,3-dihydroxypropyl]guanidine?
The InChIKey is GCCNFMRRHWFEBB-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H10ClN3O2/c5-8-4(6)7-1-3(10)2-9/h3,9-10H,1-2H2,(H3,6,7,8)/t3-/m1/s1.
What are the key properties of 1-chloro-2-[(2R)-2,3-dihydroxypropyl]guanidine?
1-chloro-2-[(2R)-2,3-dihydroxypropyl]guanidine has a molecular weight of 167.60 g/mol, XLogP of -1.60, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(2R)-2,3-dihydroxypropyl]guanidine is sourced from PubChem (CID 118327824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).