(2S)-2-amino-3-chloro-N-hydroxypropanamide;hydrochloride

C3H8Cl2N2O2 — CID 46919266

IUPAC(2S)-2-amino-3-chloro-N-hydroxypropanamide;hydrochloride
SMILESCl.N[C@H](CCl)C(=O)NO
InChIInChI=1S/C3H7ClN2O2.ClH/c4-1-2(5)3(7)6-8;/h2,8H,1,5H2,(H,6,7);1H/t2-;/m1./s1
InChIKeyCHOFFTISDVLXLR-HSHFZTNMSA-N
MW175.01 g/mol
LogP-0.52
Rot. Bonds2

About (2S)-2-amino-3-chloro-N-hydroxypropanamide;hydrochloride

(2S)-2-amino-3-chloro-N-hydroxypropanamide;hydrochloride (PubChem CID 46919266) has the molecular formula C3H8Cl2N2O2 and a molecular weight of 175.01 g/mol. Its IUPAC name is (2S)-2-amino-3-chloro-N-hydroxypropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-chloro-N-hydroxypropanamide;hydrochloride
PubChem CID46919266
Molecular FormulaC3H8Cl2N2O2
Molecular Weight175.01 g/mol
Exact Mass174.00
IUPAC Name(2S)-2-amino-3-chloro-N-hydroxypropanamide;hydrochloride
SMILESCl.N[C@H](CCl)C(=O)NO
InChIInChI=1S/C3H7ClN2O2.ClH/c4-1-2(5)3(7)6-8;/h2,8H,1,5H2,(H,6,7);1H/t2-;/m1./s1
InChIKeyCHOFFTISDVLXLR-HSHFZTNMSA-N
XLogP-0.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.01
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-chloro-N-hydroxypropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-chloro-N-hydroxypropanamide;hydrochloride (CID 46919266) is (2S)-2-amino-3-chloro-N-hydroxypropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-chloro-N-hydroxypropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-chloro-N-hydroxypropanamide;hydrochloride is Cl.N[C@H](CCl)C(=O)NO.
What is the InChIKey of (2S)-2-amino-3-chloro-N-hydroxypropanamide;hydrochloride?
The InChIKey is CHOFFTISDVLXLR-HSHFZTNMSA-N. The full InChI is InChI=1S/C3H7ClN2O2.ClH/c4-1-2(5)3(7)6-8;/h2,8H,1,5H2,(H,6,7);1H/t2-;/m1./s1.
What are the key properties of (2S)-2-amino-3-chloro-N-hydroxypropanamide;hydrochloride?
(2S)-2-amino-3-chloro-N-hydroxypropanamide;hydrochloride has a molecular weight of 175.01 g/mol, XLogP of -0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-chloro-N-hydroxypropanamide;hydrochloride is sourced from PubChem (CID 46919266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).