(2S)-1-amino-1-chloropropan-2-ol

C3H8ClNO — CID 90008112

IUPAC(2S)-1-amino-1-chloropropan-2-ol
SMILESC[C@H](O)C(N)Cl
InChIInChI=1S/C3H8ClNO/c1-2(6)3(4)5/h2-3,6H,5H2,1H3/t2-,3?/m0/s1
InChIKeyHVMIOLXPDYXXEZ-SCQFTWEKSA-N
MW109.56 g/mol
LogP-0.11
Rot. Bonds1

About (2S)-1-amino-1-chloropropan-2-ol

(2S)-1-amino-1-chloropropan-2-ol (PubChem CID 90008112) has the molecular formula C3H8ClNO and a molecular weight of 109.56 g/mol. Its IUPAC name is (2S)-1-amino-1-chloropropan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-1-chloropropan-2-ol
PubChem CID90008112
Molecular FormulaC3H8ClNO
Molecular Weight109.56 g/mol
Exact Mass109.03
IUPAC Name(2S)-1-amino-1-chloropropan-2-ol
SMILESC[C@H](O)C(N)Cl
InChIInChI=1S/C3H8ClNO/c1-2(6)3(4)5/h2-3,6H,5H2,1H3/t2-,3?/m0/s1
InChIKeyHVMIOLXPDYXXEZ-SCQFTWEKSA-N
XLogP-0.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.56
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-aminobutan-2-ol
CID 90804830
(1S)-1-chloropropane-1,2-diol
CID 57125002
(2R)-3-aminobutan-2-ol
CID 141331265
(2R,3R)-3-aminobutan-2-ol;hydron
CID 173377832
1-aminoethanol;dihydrate
CID 174522772
chloroform;propan-2-ol
CID 173195035
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
dichloro-hydroxy-propan-2-ylphosphanium
CID 88598188
gold;platinum;pentakis(propan-2-ol)
CID 171063749
beryllium;hydride;propan-2-amine
CID 174791883
butane-2,3-diol;propan-2-ol
CID 88653918
neodymium(3+);propan-2-ol;trichloride
CID 172788287

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-1-chloropropan-2-ol?
The IUPAC name of (2S)-1-amino-1-chloropropan-2-ol (CID 90008112) is (2S)-1-amino-1-chloropropan-2-ol.
What is the SMILES notation for (2S)-1-amino-1-chloropropan-2-ol?
The canonical SMILES for (2S)-1-amino-1-chloropropan-2-ol is C[C@H](O)C(N)Cl.
What is the InChIKey of (2S)-1-amino-1-chloropropan-2-ol?
The InChIKey is HVMIOLXPDYXXEZ-SCQFTWEKSA-N. The full InChI is InChI=1S/C3H8ClNO/c1-2(6)3(4)5/h2-3,6H,5H2,1H3/t2-,3?/m0/s1.
What are the key properties of (2S)-1-amino-1-chloropropan-2-ol?
(2S)-1-amino-1-chloropropan-2-ol has a molecular weight of 109.56 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-1-chloropropan-2-ol is sourced from PubChem (CID 90008112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).