(2R)-2-[[(2S)-2-aminopropanoyl]-chloroamino]-2-chloropropanoic acid

C6H10Cl2N2O3 — CID 118384838

IUPAC(2R)-2-[[(2S)-2-aminopropanoyl]-chloroamino]-2-chloropropanoic acid
SMILESC[C@H](N)C(=O)N(Cl)[C@](C)(Cl)C(=O)O
InChIInChI=1S/C6H10Cl2N2O3/c1-3(9)4(11)10(8)6(2,7)5(12)13/h3H,9H2,1-2H3,(H,12,13)/t3-,6-/m0/s1
InChIKeyFUNBVXTZLJFIPS-DZSWIPIPSA-N
MW229.06 g/mol
LogP0.36
Rot. Bonds3

About (2R)-2-[[(2S)-2-aminopropanoyl]-chloroamino]-2-chloropropanoic acid

(2R)-2-[[(2S)-2-aminopropanoyl]-chloroamino]-2-chloropropanoic acid (PubChem CID 118384838) has the molecular formula C6H10Cl2N2O3 and a molecular weight of 229.06 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-aminopropanoyl]-chloroamino]-2-chloropropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-aminopropanoyl]-chloroamino]-2-chloropropanoic acid
PubChem CID118384838
Molecular FormulaC6H10Cl2N2O3
Molecular Weight229.06 g/mol
Exact Mass228.01
IUPAC Name(2R)-2-[[(2S)-2-aminopropanoyl]-chloroamino]-2-chloropropanoic acid
SMILESC[C@H](N)C(=O)N(Cl)[C@](C)(Cl)C(=O)O
InChIInChI=1S/C6H10Cl2N2O3/c1-3(9)4(11)10(8)6(2,7)5(12)13/h3H,9H2,1-2H3,(H,12,13)/t3-,6-/m0/s1
InChIKeyFUNBVXTZLJFIPS-DZSWIPIPSA-N
XLogP0.36
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.06
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-aminopropanoyl]-chloroamino]-2-chloropropanoic acid?
The IUPAC name of (2R)-2-[[(2S)-2-aminopropanoyl]-chloroamino]-2-chloropropanoic acid (CID 118384838) is (2R)-2-[[(2S)-2-aminopropanoyl]-chloroamino]-2-chloropropanoic acid.
What is the SMILES notation for (2R)-2-[[(2S)-2-aminopropanoyl]-chloroamino]-2-chloropropanoic acid?
The canonical SMILES for (2R)-2-[[(2S)-2-aminopropanoyl]-chloroamino]-2-chloropropanoic acid is C[C@H](N)C(=O)N(Cl)[C@](C)(Cl)C(=O)O.
What is the InChIKey of (2R)-2-[[(2S)-2-aminopropanoyl]-chloroamino]-2-chloropropanoic acid?
The InChIKey is FUNBVXTZLJFIPS-DZSWIPIPSA-N. The full InChI is InChI=1S/C6H10Cl2N2O3/c1-3(9)4(11)10(8)6(2,7)5(12)13/h3H,9H2,1-2H3,(H,12,13)/t3-,6-/m0/s1.
What are the key properties of (2R)-2-[[(2S)-2-aminopropanoyl]-chloroamino]-2-chloropropanoic acid?
(2R)-2-[[(2S)-2-aminopropanoyl]-chloroamino]-2-chloropropanoic acid has a molecular weight of 229.06 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-aminopropanoyl]-chloroamino]-2-chloropropanoic acid is sourced from PubChem (CID 118384838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).