(2R,3S)-3-amino-1-chlorobutan-2-ol

C4H10ClNO — CID 154700575

IUPAC(2R,3S)-3-amino-1-chlorobutan-2-ol
SMILESC[C@H](N)[C@@H](O)CCl
InChIInChI=1S/C4H10ClNO/c1-3(6)4(7)2-5/h3-4,7H,2,6H2,1H3/t3-,4-/m0/s1
InChIKeyFOPDWNYRGFVVRV-IMJSIDKUSA-N
MW123.58 g/mol
LogP-0.07
Rot. Bonds2

About (2R,3S)-3-amino-1-chlorobutan-2-ol

(2R,3S)-3-amino-1-chlorobutan-2-ol (PubChem CID 154700575) has the molecular formula C4H10ClNO and a molecular weight of 123.58 g/mol. Its IUPAC name is (2R,3S)-3-amino-1-chlorobutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-1-chlorobutan-2-ol
PubChem CID154700575
Molecular FormulaC4H10ClNO
Molecular Weight123.58 g/mol
Exact Mass123.05
IUPAC Name(2R,3S)-3-amino-1-chlorobutan-2-ol
SMILESC[C@H](N)[C@@H](O)CCl
InChIInChI=1S/C4H10ClNO/c1-3(6)4(7)2-5/h3-4,7H,2,6H2,1H3/t3-,4-/m0/s1
InChIKeyFOPDWNYRGFVVRV-IMJSIDKUSA-N
XLogP-0.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.58
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-amino-1-chlorobutan-2-ol;hydrochloride
CID 55298277
(2R,3R)-3-aminobutane-1,2-diol
CID 14325608
(2S,4S,5S)-5-aminohexane-2,4-diol
CID 88882738
(2S,3S)-2-aminohexan-3-ol
CID 55285025
(2S)-3-aminobutan-2-ol
CID 90804830
(2R)-3-aminobutan-2-ol
CID 141331265
1-amino-3-chloropropane-1,2-diol;phosphoric acid
CID 175174483
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
1-chloro-2-methylpropane;methanol
CID 88619830
(2R,3R)-3-aminobutan-2-ol;hydron
CID 173377832
ethane-1,1-diamine;ethane-1,2-diol
CID 88638607
2,4-diaminopentan-3-ol
CID 88907217

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-1-chlorobutan-2-ol?
The IUPAC name of (2R,3S)-3-amino-1-chlorobutan-2-ol (CID 154700575) is (2R,3S)-3-amino-1-chlorobutan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-1-chlorobutan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-1-chlorobutan-2-ol is C[C@H](N)[C@@H](O)CCl.
What is the InChIKey of (2R,3S)-3-amino-1-chlorobutan-2-ol?
The InChIKey is FOPDWNYRGFVVRV-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H10ClNO/c1-3(6)4(7)2-5/h3-4,7H,2,6H2,1H3/t3-,4-/m0/s1.
What are the key properties of (2R,3S)-3-amino-1-chlorobutan-2-ol?
(2R,3S)-3-amino-1-chlorobutan-2-ol has a molecular weight of 123.58 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-1-chlorobutan-2-ol is sourced from PubChem (CID 154700575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).