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

C10H10ClN3O2 — CID 10999111

IUPAC(3R)-4-azido-3-(4-chlorophenyl)butanoic acid
SMILES[N-]=[N+]=NC[C@H](CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN3O2/c11-9-3-1-7(2-4-9)8(5-10(15)16)6-13-14-12/h1-4,8H,5-6H2,(H,15,16)/t8-/m0/s1
InChIKeyOVESUDFBXLSGGG-QMMMGPOBSA-N
MW239.66 g/mol
LogP3.21
Rot. Bonds5

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

(3R)-4-azido-3-(4-chlorophenyl)butanoic acid (PubChem CID 10999111) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is (3R)-4-azido-3-(4-chlorophenyl)butanoic acid.

Molecular Properties

Compound Name(3R)-4-azido-3-(4-chlorophenyl)butanoic acid
PubChem CID10999111
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name(3R)-4-azido-3-(4-chlorophenyl)butanoic acid
SMILES[N-]=[N+]=NC[C@H](CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN3O2/c11-9-3-1-7(2-4-9)8(5-10(15)16)6-13-14-12/h1-4,8H,5-6H2,(H,15,16)/t8-/m0/s1
InChIKeyOVESUDFBXLSGGG-QMMMGPOBSA-N
XLogP3.21
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 ≤ 53.21
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'}

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Related Compounds

sodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride
CID 132988119
3-(4-chlorophenyl)-4-cyanobutanoic acid
CID 83708650
3-(4-chlorophenyl)-5,5-dimethylhexanoic acid
CID 82298975
(3S)-3-(4-chlorophenyl)-5-methoxy-5-oxopentanoic acid
CID 44516385
3-(4-chlorophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82132170
3-(4-chlorophenyl)-4-(ethylamino)butanoic acid
CID 142142962
(3R)-3-azido-4-(4-chlorophenyl)butanoic acid
CID 154996934
(2S)-3-azido-2-(4-chlorophenyl)propanenitrile
CID 134956148
(2-azido-1-phenylethyl)urea
CID 121416559
3-amino-3-(4-chlorophenyl)propanoic acid;azane
CID 175752194
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
CID 2424184
(1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol
CID 83093429

Frequently Asked Questions

What is the IUPAC name of (3R)-4-azido-3-(4-chlorophenyl)butanoic acid?
The IUPAC name of (3R)-4-azido-3-(4-chlorophenyl)butanoic acid (CID 10999111) is (3R)-4-azido-3-(4-chlorophenyl)butanoic acid.
What is the SMILES notation for (3R)-4-azido-3-(4-chlorophenyl)butanoic acid?
The canonical SMILES for (3R)-4-azido-3-(4-chlorophenyl)butanoic acid is [N-]=[N+]=NC[C@H](CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-4-azido-3-(4-chlorophenyl)butanoic acid?
The InChIKey is OVESUDFBXLSGGG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c11-9-3-1-7(2-4-9)8(5-10(15)16)6-13-14-12/h1-4,8H,5-6H2,(H,15,16)/t8-/m0/s1.
What are the key properties of (3R)-4-azido-3-(4-chlorophenyl)butanoic acid?
(3R)-4-azido-3-(4-chlorophenyl)butanoic acid has a molecular weight of 239.66 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-azido-3-(4-chlorophenyl)butanoic acid is sourced from PubChem (CID 10999111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).