(2R)-2-(chloroamino)butanoic acid

C4H8ClNO2 — CID 101181560

IUPAC(2R)-2-(chloroamino)butanoic acid
SMILESCC[C@@H](NCl)C(=O)O
InChIInChI=1S/C4H8ClNO2/c1-2-3(6-5)4(7)8/h3,6H,2H2,1H3,(H,7,8)/t3-/m1/s1
InChIKeyAZWATAMGZFKYHZ-GSVOUGTGSA-N
MW137.57 g/mol
LogP0.59
Rot. Bonds3

About (2R)-2-(chloroamino)butanoic acid

(2R)-2-(chloroamino)butanoic acid (PubChem CID 101181560) has the molecular formula C4H8ClNO2 and a molecular weight of 137.57 g/mol. Its IUPAC name is (2R)-2-(chloroamino)butanoic acid.

Molecular Properties

Compound Name(2R)-2-(chloroamino)butanoic acid
PubChem CID101181560
Molecular FormulaC4H8ClNO2
Molecular Weight137.57 g/mol
Exact Mass137.02
IUPAC Name(2R)-2-(chloroamino)butanoic acid
SMILESCC[C@@H](NCl)C(=O)O
InChIInChI=1S/C4H8ClNO2/c1-2-3(6-5)4(7)8/h3,6H,2H2,1H3,(H,7,8)/t3-/m1/s1
InChIKeyAZWATAMGZFKYHZ-GSVOUGTGSA-N
XLogP0.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.57
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(chloroamino)butanoic acid?
The IUPAC name of (2R)-2-(chloroamino)butanoic acid (CID 101181560) is (2R)-2-(chloroamino)butanoic acid.
What is the SMILES notation for (2R)-2-(chloroamino)butanoic acid?
The canonical SMILES for (2R)-2-(chloroamino)butanoic acid is CC[C@@H](NCl)C(=O)O.
What is the InChIKey of (2R)-2-(chloroamino)butanoic acid?
The InChIKey is AZWATAMGZFKYHZ-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H8ClNO2/c1-2-3(6-5)4(7)8/h3,6H,2H2,1H3,(H,7,8)/t3-/m1/s1.
What are the key properties of (2R)-2-(chloroamino)butanoic acid?
(2R)-2-(chloroamino)butanoic acid has a molecular weight of 137.57 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(chloroamino)butanoic acid is sourced from PubChem (CID 101181560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).