(2R)-3-(2-chloroethylamino)propane-1,2-diol

C5H12ClNO2 — CID 125498266

IUPAC(2R)-3-(2-chloroethylamino)propane-1,2-diol
SMILESOC[C@H](O)CNCCCl
InChIInChI=1S/C5H12ClNO2/c6-1-2-7-3-5(9)4-8/h5,7-9H,1-4H2/t5-/m1/s1
InChIKeyVVGWUAMYPPWSLS-RXMQYKEDSA-N
MW153.61 g/mol
LogP-0.83
Rot. Bonds5

About (2R)-3-(2-chloroethylamino)propane-1,2-diol

(2R)-3-(2-chloroethylamino)propane-1,2-diol (PubChem CID 125498266) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is (2R)-3-(2-chloroethylamino)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(2-chloroethylamino)propane-1,2-diol
PubChem CID125498266
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name(2R)-3-(2-chloroethylamino)propane-1,2-diol
SMILESOC[C@H](O)CNCCCl
InChIInChI=1S/C5H12ClNO2/c6-1-2-7-3-5(9)4-8/h5,7-9H,1-4H2/t5-/m1/s1
InChIKeyVVGWUAMYPPWSLS-RXMQYKEDSA-N
XLogP-0.83
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173
3-(but-3-enylamino)propane-1,2-diol
CID 66175706
2-(2,3-dihydroxypropylamino)ethanesulfonic acid
CID 20545750
(2S)-3-(dodecylamino)propane-1,2-diol
CID 98095013
(2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol
CID 104760155
3-[2-[2,3-dihydroxypropyl-[2-(2,3-dihydroxypropylamino)ethyl]amino]ethylamino]propane-1,2-diol
CID 89396769
(2R)-3-(dodecylamino)propane-1,2-diol
CID 98095014
3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol
CID 76891683
(2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol
CID 62641406
(2S)-3-(7-methyloctylamino)propane-1,2-diol
CID 107815051
2-chloroethanol;propane-1,2,3-triol
CID 159289290
(2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol
CID 65036137

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-chloroethylamino)propane-1,2-diol?
The IUPAC name of (2R)-3-(2-chloroethylamino)propane-1,2-diol (CID 125498266) is (2R)-3-(2-chloroethylamino)propane-1,2-diol.
What is the SMILES notation for (2R)-3-(2-chloroethylamino)propane-1,2-diol?
The canonical SMILES for (2R)-3-(2-chloroethylamino)propane-1,2-diol is OC[C@H](O)CNCCCl.
What is the InChIKey of (2R)-3-(2-chloroethylamino)propane-1,2-diol?
The InChIKey is VVGWUAMYPPWSLS-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H12ClNO2/c6-1-2-7-3-5(9)4-8/h5,7-9H,1-4H2/t5-/m1/s1.
What are the key properties of (2R)-3-(2-chloroethylamino)propane-1,2-diol?
(2R)-3-(2-chloroethylamino)propane-1,2-diol has a molecular weight of 153.61 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-chloroethylamino)propane-1,2-diol is sourced from PubChem (CID 125498266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).