(2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid

C3H6ClNO3 — CID 174951992

IUPAC(2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid
SMILESN[C@H](C(=O)O)[C@H](O)Cl
InChIInChI=1S/C3H6ClNO3/c4-2(6)1(5)3(7)8/h1-2,6H,5H2,(H,7,8)/t1-,2-/m0/s1
InChIKeyCTJPPNALSKEWNK-LWMBPPNESA-N
MW139.54 g/mol
LogP-1.04
Rot. Bonds2

About (2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid

(2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid (PubChem CID 174951992) has the molecular formula C3H6ClNO3 and a molecular weight of 139.54 g/mol. Its IUPAC name is (2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid
PubChem CID174951992
Molecular FormulaC3H6ClNO3
Molecular Weight139.54 g/mol
Exact Mass139.00
IUPAC Name(2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid
SMILESN[C@H](C(=O)O)[C@H](O)Cl
InChIInChI=1S/C3H6ClNO3/c4-2(6)1(5)3(7)8/h1-2,6H,5H2,(H,7,8)/t1-,2-/m0/s1
InChIKeyCTJPPNALSKEWNK-LWMBPPNESA-N
XLogP-1.04
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.54
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-bromo-3-chloropropanoic acid
CID 141078930
2-amino-3-chloro-3-fluoropropanoic acid
CID 18523013
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride
CID 91928385
(2S)-2-amino-3,4-dihydroxypentanedioic acid
CID 22790188
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052
2-amino-3-hydroxybutanoic acid;selane
CID 174980406
(2S)-2-amino-3-methylbutanoic acid;carbonyl dichloride
CID 87642721
(2R)-2-amino-4-hydroxy-3-methylpentanoic acid
CID 89103200
2-amino-3-hydroxybutanoic acid;urea
CID 174908114
(2S,3R)-2-amino-3-deuterio-3-hydroxybutanoic acid
CID 10582778
(2S,3S)-2-amino-3-hydroxy-4-phosphanylbutanoic acid
CID 87416612

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid?
The IUPAC name of (2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid (CID 174951992) is (2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid.
What is the SMILES notation for (2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid?
The canonical SMILES for (2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid is N[C@H](C(=O)O)[C@H](O)Cl.
What is the InChIKey of (2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid?
The InChIKey is CTJPPNALSKEWNK-LWMBPPNESA-N. The full InChI is InChI=1S/C3H6ClNO3/c4-2(6)1(5)3(7)8/h1-2,6H,5H2,(H,7,8)/t1-,2-/m0/s1.
What are the key properties of (2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid?
(2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid has a molecular weight of 139.54 g/mol, XLogP of -1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid is sourced from PubChem (CID 174951992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).