(3R)-3-azido-4-(4-chlorophenyl)butanoic acid

C10H10ClN3O2 — CID 154996934

IUPAC(3R)-3-azido-4-(4-chlorophenyl)butanoic acid
SMILES[N-]=[N+]=N[C@@H](CC(=O)O)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN3O2/c11-8-3-1-7(2-4-8)5-9(13-14-12)6-10(15)16/h1-4,9H,5-6H2,(H,15,16)/t9-/m1/s1
InChIKeyHEQKUDICWSLSQA-SECBINFHSA-N
MW239.66 g/mol
LogP3.04
Rot. Bonds5

About (3R)-3-azido-4-(4-chlorophenyl)butanoic acid

(3R)-3-azido-4-(4-chlorophenyl)butanoic acid (PubChem CID 154996934) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is (3R)-3-azido-4-(4-chlorophenyl)butanoic acid.

Molecular Properties

Compound Name(3R)-3-azido-4-(4-chlorophenyl)butanoic acid
PubChem CID154996934
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name(3R)-3-azido-4-(4-chlorophenyl)butanoic acid
SMILES[N-]=[N+]=N[C@@H](CC(=O)O)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN3O2/c11-8-3-1-7(2-4-8)5-9(13-14-12)6-10(15)16/h1-4,9H,5-6H2,(H,15,16)/t9-/m1/s1
InChIKeyHEQKUDICWSLSQA-SECBINFHSA-N
XLogP3.04
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (3R)-3-azido-4-(4-chlorophenyl)butanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-azidopentanedioic acid
CID 150148119
(3S)-3-azido-4-(4-methylphenyl)butanamide
CID 57187648
(2S)-2-[(4-chlorophenyl)methyl]butanedioic acid
CID 911262
4-(4-chlorophenyl)-3-(ethylamino)butanoic acid
CID 82350545
(3R)-4-azido-3-(4-chlorophenyl)butanoic acid
CID 10999111
3-azido-6-phenylhexanoic acid
CID 139971707
4-(4-chloroanilino)-3-[(4-chlorophenyl)methyl]-4-oxobutanoic acid
CID 3122015
6-azido-2-[(4-chlorophenyl)methyl]hexanoic acid
CID 102309182
(2S)-2-azido-3,3-bis(4-chlorophenyl)propanoic acid
CID 86726383
4-(4-chlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]butanoic acid
CID 82352266
(3R)-3-(benzylamino)-4-(4-chlorophenyl)butanoic acid
CID 69226473
4-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 167728511

Frequently Asked Questions

What is the IUPAC name of (3R)-3-azido-4-(4-chlorophenyl)butanoic acid?
The IUPAC name of (3R)-3-azido-4-(4-chlorophenyl)butanoic acid (CID 154996934) is (3R)-3-azido-4-(4-chlorophenyl)butanoic acid.
What is the SMILES notation for (3R)-3-azido-4-(4-chlorophenyl)butanoic acid?
The canonical SMILES for (3R)-3-azido-4-(4-chlorophenyl)butanoic acid is [N-]=[N+]=N[C@@H](CC(=O)O)Cc1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-azido-4-(4-chlorophenyl)butanoic acid?
The InChIKey is HEQKUDICWSLSQA-SECBINFHSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c11-8-3-1-7(2-4-8)5-9(13-14-12)6-10(15)16/h1-4,9H,5-6H2,(H,15,16)/t9-/m1/s1.
What are the key properties of (3R)-3-azido-4-(4-chlorophenyl)butanoic acid?
(3R)-3-azido-4-(4-chlorophenyl)butanoic acid has a molecular weight of 239.66 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-azido-4-(4-chlorophenyl)butanoic acid is sourced from PubChem (CID 154996934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).