(2R)-2-amino-3-chloro-N-propan-2-ylpropanamide

C6H13ClN2O — CID 118391274

IUPAC(2R)-2-amino-3-chloro-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](N)CCl
InChIInChI=1S/C6H13ClN2O/c1-4(2)9-6(10)5(8)3-7/h4-5H,3,8H2,1-2H3,(H,9,10)/t5-/m0/s1
InChIKeyWKCZCCXBTVQYAE-YFKPBYRVSA-N
MW164.64 g/mol
LogP0.08
Rot. Bonds3

About (2R)-2-amino-3-chloro-N-propan-2-ylpropanamide

(2R)-2-amino-3-chloro-N-propan-2-ylpropanamide (PubChem CID 118391274) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is (2R)-2-amino-3-chloro-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-chloro-N-propan-2-ylpropanamide
PubChem CID118391274
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name(2R)-2-amino-3-chloro-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](N)CCl
InChIInChI=1S/C6H13ClN2O/c1-4(2)9-6(10)5(8)3-7/h4-5H,3,8H2,1-2H3,(H,9,10)/t5-/m0/s1
InChIKeyWKCZCCXBTVQYAE-YFKPBYRVSA-N
XLogP0.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-3-chloro-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-chloro-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-amino-3-chloro-N-propan-2-ylpropanamide (CID 118391274) is (2R)-2-amino-3-chloro-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-amino-3-chloro-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-amino-3-chloro-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@@H](N)CCl.
What is the InChIKey of (2R)-2-amino-3-chloro-N-propan-2-ylpropanamide?
The InChIKey is WKCZCCXBTVQYAE-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13ClN2O/c1-4(2)9-6(10)5(8)3-7/h4-5H,3,8H2,1-2H3,(H,9,10)/t5-/m0/s1.
What are the key properties of (2R)-2-amino-3-chloro-N-propan-2-ylpropanamide?
(2R)-2-amino-3-chloro-N-propan-2-ylpropanamide has a molecular weight of 164.64 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-chloro-N-propan-2-ylpropanamide is sourced from PubChem (CID 118391274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).